--- /dev/null
+ CLUSTER
+ Cluster analysis of UNRES simulation results
+ ---------------------------------------------
+
+TABLE OF CONTENTS
+-----------------
+
+1. License terms
+
+2. References
+
+3. Functions of the program
+
+4. Installation
+
+5. Running the program
+
+6. Input and output files
+ 6.1. Summary of files
+ 6.2. The main input file
+ 6.2.1. Title
+ 6.2.2. General data
+ 6.2.3. Energy-term weights and parameter files
+ 6.2.4 Molecule data
+ 6.2.4.1. Sequence information
+ 6.2.4.2. Dihedral angle restraint information
+ 6.2.4.3. Disulfide-bridge data
+ 6.2.5. Reference structure
+ 6.3. Main output file (out)
+ 6.4. Output coordinate files
+ 6.4.1. The internal coordinate (int) files
+ 6.4.2. The Cartesian coordinate (x) files
+ 6.4.3. The PDB files
+ 6.4.3.1. CLUST-UNRES runs
+ 6.4.3.2. CLUST-WHAM runs
+ 6.4.3.2.1. Conformation family files
+ 6.4.3.2.2. Average-structure file
+ 6.5. The conformation-distance file
+ 6.6. The clustering-tree PicTeX file
+
+7. Support
+
+1. LICENSE TERMS
+----------------
+
+* This software is provided free of charge to academic users, subject to the
+ condition that no part of it be sold or used otherwise for commercial
+ purposes, including, but not limited to its incorporation into commercial
+ software packages, without written consent from the authors. For permission
+ contact Prof. H. A. Scheraga, Cornell University.
+
+* This software package is provided on an "as is" basis. We in no way warrant
+ either this software or results it may produce.
+
+* Reports or publications using this software package must contain an
+ acknowledgment to the authors and the NIH Resource in the form commonly
+used
+ in academic research.
+
+2. REFERENCES
+-------------
+
+The program incorporates the hierarchical-clustering subroutine, hc.f written
+by G. Murtagh (refs 1 and 2). The subroutine contains seven methods of
+hierarchical clustering.
+
+[1] F. Murtagh. Multidimensional clustering algorithms; Physica-Verlag:
+ Vienna, Austria, 1985.
+[2] F. Murtagh, A. Heck. MultiVariate data analysis; Kluwer Academic:
+ Dordrecht, Holland, 1987.
+[3] A. Liwo, M. Khalili, C. Czaplewski, S. Kalinowski, S. Oldziej, K. Wachucik,
+ H.A. Scheraga.
+ Modification and optimization of the united-residue (UNRES) potential
+ energy function for canonical simulations. I. Temperature dependence of the
+ effective energy function and tests of the optimization method with single
+ training proteins. J. Phys. Chem. B, 2007, 111, 260-285.
+[4] S. Oldziej, A. Liwo, C. Czaplewski, J. Pillardy, H.A. Scheraga.
+ Optimization of the UNRES force field by hierarchical design of the
+ potential-energy landscape. 2. Off-lattice tests of the method with single
+ proteins. J. Phys. Chem. B., 2004, 108, 16934-16949.
+
+3. FUNCTIONS OF THE PROGRAM
+---------------------------
+
+The program runs cluster analysis of UNRES simulation results. There are two
+versions of the program depending on the origin of input conformation:
+
+1) CLUST-UNRES: performs cluster analysis of conformations that are obtained
+ directly from UNRES runs (CSA, MCM, MD, (M)REMD, multiple-conformation
+ energy minimization). The source code and other important files are
+ deposited in CLUST-UNRES subdirectory
+
+ The source code of this version is deposited in clust-unres/src
+
+2) CLUST-WHAM: performs cluster analysis of conformations obtained in UNRES
+ MREMD simulations and then processed with WHAM (weighted histogram analysis
+ method). This enables the user to obtain clusters as conformational
+ ensembles at a given temperature and to compute their probabilities
+ (section 2.5 of ref 3). This version is deposited in the CLUST-WHAM
+ subdirectory. This version has single- and multichain variants, whose
+ source codes are deposited in the following subdirectories:
+
+ a) clust-wham/src single-chain proteins
+
+ b) clust-wham/src-M oligomeric proteins
+
+The version developed for oligomeric proteins treats whole system as a single
+chain with dummy residues inserted. It also works for single chains but is
+not fully checked and it is recommended to use single-chain version for
+single-chain proteins.
+
+4. INSTALLATION
+---------------
+
+Customize Makefile to your system. See section 7 of the description of UNRES
+for compiler flags that are used to created executables for a particular
+force field. There are already several Makefiles prepared for various
+systems and force fields.
+
+Run make in the appropriate source directory version. CLUST-UNRES runs
+only in single-processor mode an CLUST-WHAM runs in both serial and parallel
+mode [only conformation-distance (rmsd) calculations are parallelized].
+The parallel version uses MPI.
+
+5. RUNNING THE PROGRAM
+----------------------
+
+The program requires a parallel system to run. Depending on system,
+either the wham.csh C-shell script (in WHAM/bin directory) can be started
+using mpirun or the binary in the C-shell script must be executed through
+mpirun. See the wham.csh C-shell script and section 6 for the files
+processed by the program.
+
+6. INPUT AND OUTPUT FILES
+-------------------------
+
+6.1. SUMMARY OF THE FILES
+-------------------------
+
+The C-shell script wham.csh is used to run the program (see the
+bin/WHAM directory). The data files that the script needs are mostly the same as
+for UNRES (see section 6 of UNRES description). In addition, the environmental
+variable CONTFUN specifies the method to assess whether two side chains
+are at contact; if EONTFUN=GB, the criterion defined by eq 8 of ref 4 is
+used to assess whether two side chains are at contact. Also, the parameter
+files from the C-shell scripts are overridden if the data from Hamiltonian
+MREMD are processed; if so, the parameter files are defined in the main
+input file.
+
+The main input file must have inp extension. If it is INPUT.inp, the output
+files are as follows:
+
+Coordinate input file COORD.ext, where ext denotes file extension in one of the
+following formats:
+
+INT (extension int; UNRES angles theta, gamma, alpha, and beta),
+X (extension x; UNRES Cartesian coordinate format; from MD),
+PDB (extension pdb; Protein Data Bank format; fro MD),
+CX (extension cx; xdrf format; from WHAM).
+
+INPUT_clust.out (single-processor mode) or INPUT_clust.out_xxx (parallel mode) -
+ output file(s) (INPUT.out_000 is the main output file for parallel mode).
+
+COORD_clust.int: leading (lowest-energy) members of the families
+ in internal-coordinate format.
+COORD_clust.x: leading members of the families in UNRES Cartesian coordinate
+ format.
+COORD_xxxx.pdb or COORD_xxxx_yyy.pdb (CLUST-UNRES): PDB file of member yyy
+ of family xxxx; yyy is omitted if the family contains only one member
+ within a given energy cut-off.
+COORD_TxxxK_yyyy.pdb: concatenated conformations in PDB format of the
+ members of family yyyy clustered at T=xxxK ranked by probabilities in
+ descending order at this temperature (CLUST-WHAM).
+COORD_T_xxxK_ave.pdb: cluster-averaged coordinates and coordinates of a
+ member of each family that is closest to the cluster average in PDB
+ format, concatenated in a single file (CLUST-WHAM).
+
+INPUT_clust.tex: PicTeX code of the cluster tree.
+
+INPUT.rms: rmsds between conformations.
+
+6.2. MAIN INPUT FILE
+--------------------
+
+This file has the same structure as the UNRES input file; most of the data are
+input in a keyword-based form (see section 7.1 of UNRES description). The data
+are grouped into records, referred to as lines. Each record, except for the
+records that are input in non-keyword based form, can be continued by placing
+an ampersand (&) in column 80. Such a format is referred to as the data list
+format.
+
+In the following description, the default values are given in parentheses.
+
+6.2.1. Title (80-character string)
+----------------------------------
+
+6.2.2. General data (data list format)
+--------------------------------------
+
+NRES (0) - the number of residues
+
+ONE_LETTER - if present, the sequence is input in one-letter code.
+
+SYM (1) - number of chains with same sequence (for oligomeric proteins only),
+
+WITH_DIHED_CONSTR - if present, dihedral-angle restraints were imposed in the
+ processed MREMD simulations
+
+RESCALE (1) - Choice of the type of temperature dependence of the force field.
+0 - no temperature dependence
+1 - homographic dependence (not implemented yet with any force field)
+2 - hyperbolic tangent dependence [3].
+
+DISTCHAINMAX (50.0) - for oligomeric proteins, distance between the chains
+ above which restraints will be switched on to keep the chains at a
+ reasonable distance.
+
+PDBOUT - clusters will be printed in PDB format.
+
+ECUT - energy cut-off criterion to print conformations (UNRES-CLUST runs).
+ Only those families will be output the energy of the lowest-energy
+ conformation of which is within ECUT kcal/mol above that of the
+ lowest-energy conformation and for a family only those members will be
+ output which have energy within ECUT kcal/mol above the energy of the
+ lowest-energy member of the family.
+
+PRINT_CART - output leading members of the families in UNRES x format.
+
+PRINT_INT - output leading members of the families in UNRES int format.
+
+REF_STR - if present, reference structure is input and rmsd will be computed
+ with respect to it (CLUST-UNRES only; rmsd is provided in the cx file
+ from WHAM for CLUST-WHAM runs).
+
+PDBREF - if present, reference structure will be read in from a pdb file.
+
+SIDE - side chains will be considered in superposition when calculating rmsd
+
+CA_ONLY - only the Calpha atoms will be used in rmsd calculation
+
+NSTART (0) - first residue to superpose
+
+NEND (0) - last residue to superpose
+
+NTEMP (1) - number of temperatures at which probabilities will be calculated
+ and clustering performed (CLUST-WHAM)
+
+TEMPER (NTEMP tiles) - temperatures at which clustering will be performed
+ (CLUST-WHAM)
+
+EFREE - if present, conformation entropy factor is read if the conformation
+ is input from an x or pdb file
+
+PROB (0.99) - cut-off on the summary probability of the conformations that
+ are clustered at a given temperature (CLUST-WHAM)
+
+IOPT (2) - clustering algorithm:
+
+1 - Ward's minimum variance method
+2 - single link method
+3 - complete link method
+4 - average link (or group average) method
+5 - McQuitty's method
+6 - Median (Gower's) method
+7 - centroid method
+
+Instead of IOPT=1, MINTREE and instead of IOPT=2 MINVAR can be specified
+
+NCUT (1) - number of cut-offs in clustering
+
+CUTOFF (-1.0; NCUT values) cut-offs at which clustering will be performed;
+ at the cut-off flagged by a "-" sign clustering will be performed with
+ cutoff value=abs(cutoff(i)) and conformations corresponding to clusters
+ will be output in the desired format.
+
+MAKE_TREE - if present, produce a clustering-tree graph
+
+PLOT_TREE - if present, the tree is written in PicTeX format to a file
+
+PRINT_DIST - if present, distance (rmsd) matrix is printed to main output
+ file
+PUNCH_DIST - if present, the upper-triangle of the distance matrix will be
+ printed to a file
+
+6.2.3. Energy-term weights and parameter files
+----------------------------------------------
+
+WSC (1.0) - side-chain-side-chain interaction energy
+
+WSCP (1.0) - side chain-peptide group interaction energy
+
+WELEC (1.0) - peptide-group-peptide group interaction energy
+
+WEL_LOC (1.0)- third-order backbone-local correlation energy
+
+WCORR (1.0) - fourth-order backbone-local correlation energy
+
+WCORR5 (1.0) - fifth-order backbone-local correlation energy
+
+WCORR6 (1.0) - sixth-order backbone-local correlation energy
+
+WTURN3 (1.0) - third-order backbone-local correlation energy of pairs of
+ peptide groups separated by a single peptide group
+
+WTURN4 (1.0) - fourth-order backbone-local correlation energy of pairs of
+ peptide groups separated by two peptide groups
+
+WTURN6 (1.0) - sixth-order backbone-local correlation energy for pairs of
+ peptide groups separated by four peptide groups
+
+WBOND (1.0) - virtual-bond-stretching energy
+
+WANG (1.0) - virtual-bond-angle-bending energy
+
+WTOR (1.0) - virtual-bond-torsional energy
+
+WTORD (1.0) - virtual-bond-double-torsional energy
+
+WSCCOR (1.0) - sequence-specific virtual-bond-torsional energy
+
+WDIHC (0.0) - dihedral-angle-restraint energy
+
+WHPB (1.0) - distance-restraint energy
+
+SCAL14 (0.4) - scaling factor of 1,4-interactions
+
+6.2.4. Molecule information
+-----------------------------
+
+6.2.4.1. Sequence information
+-----------------------------
+
+Amino-acid sequence
+
+3-letter code: Sequence is input in format 20(1X,A3)
+
+1-letter code: Sequence is input in format 80A1
+
+6.2.4.2. Dihedral angle restraint information
+---------------------------------------------
+
+This is the information about dihedral-angle restraints, if any are present.
+It is specified only when WITH_DIHED_CONSTR is present in the first record.
+
+1st line: ndih_constr - number of restraints (free format)
+
+2nd line: ftors - force constant (free format)
+
+Each of the following ndih_constr lines:
+
+idih_constr(i),phi0(i),drange(i) (free format)
+
+idih_constr(i) - the number of the dihedral angle gamma corresponding to the
+ith restraint
+
+phi0(i) - center of dihedral-angle restraint
+
+drange(i) - range of flat well (no restraints for phi0(i) +/- drange(i))
+
+6.2.4.3. Disulfide-bridge data
+------------------------------
+
+1st line: NS, (ISS(I),I=1,NS) (free format)
+
+NS - number of cystine residues forming disulfide bridges
+
+ISS(I) - the number of the Ith disulfide-bonding cystine in the sequence
+
+2nd line: NSS, (IHPB(I),JHPB(I),I=1,NSS) (free format)
+
+NSS - number of disulfide bridges
+
+IHPB(I),JHPB(I) - the first and the second residue of ith disulfide link
+
+Because the input is in free format, each line can be split
+
+6.2.5. Reference structure
+--------------------------
+
+If PDBREF is specified, filename with reference (experimental) structure,
+otherwise UNRES internal coordinates as the theta, gamma, alpha, and beta
+angles.
+
+6.3. Main output file (out)
+------------------------------------------------
+
+The main (with name INPUT_clust.out or INPUT_clust.out_000 for parallel runs)
+output file contains the results of clustering (numbers of families
+at different cut-off values, probabilities of clusters, composition of
+families, and rmsd values corresponding to families (0 if rmsd was not
+computed or read from WHAM-generated cx file).
+
+The output files corresponding to non-master processors
+(INPUT_clust.out_xxx where xxx>0 contain only the information up to the
+clustering protocol. These files can be deleted right after the run.
+
+Excerpts from the a sample output file are given below:
+
+CLUST-UNRES:
+
+THERE ARE 20 FAMILIES OF CONFORMATIONS
+
+FAMILY 1 CONTAINS 2 CONFORMATION(S):
+ 42 -2.9384E+03 50 -2.9134E+03
+
+
+Max. distance in the family: 14.0; average distance in the family: 14.0
+
+FAMILY 2 CONTAINS 3 CONFORMATION(S):
+ 13 -2.9342E+03 7 -2.8827E+03 10 -2.8682E+03
+
+CLUST-WHAM:
+
+AT CUTOFF: 200.00000
+Maximum distance found: 137.82
+Free energies and probabilities of clusters at 325.0 K
+clust efree prob sumprob
+ 1 -76.5 0.25035 0.25035
+ 2 -76.5 0.24449 0.49484
+ 3 -76.4 0.21645 0.71129
+ 4 -76.4 0.20045 0.91174
+ 5 -75.8 0.08826 1.00000
+
+
+THERE ARE 5 FAMILIES OF CONFORMATIONS
+
+FAMILY 1 WITH TOTAL FREE ENERGY -7.65228E+01 CONTAINS 548 CONFORMATION(S):
+8363 -7.332E+013939 -7.332E+012583 -7.332E+017395 -7.332E+019932 -7.332E+01
+5816 -7.332E+013096 -7.332E+012663 -7.332E+014099 -7.332E+016822 -7.332E+01
+3176 -7.332E+017542 -7.332E+018933 -7.332E+017315 -7.332E+01 200 -7.332E+01.
+.
+5637 -7.062E+018060 -7.061E+013797 -7.060E+018800 -7.057E+016295 -7.057E+01
+6298 -7.057E+012332 -7.057E+012709 -7.057E+01
+
+Max. distance in the family: 16.5; average distance in the family: 8.8
+Average RMSD 8.22 A
+
+6.4. Output coordinate files
+----------------------------
+
+6.4.1. The internal coordinate (int) files
+------------------------------------------
+
+The file with name COORD_clust.int contains the angles theta, gamma, alpha,
+and beta of all residues of the leaders (lowest UNRES energy conformations
+from consecutive families for CLUST-UNRES runs and lowest free energy
+conformations for CLUST-WHAM runs). The format is the same as that of the
+file output by UNRES; see section 9.1.1 of UNRES description.
+
+For CLUST-WHAM runs, the first line contains more items:
+
+number of family (format i5)
+UNRES free energy of the conformation (format f12.3)
+Free energy of the entire family (format f12.3)
+number of disulfide bonds (format i2)
+list disulfide-bonded pairs (format 2i3)
+conformation class number (0 if not provided) (format i10)
+
+6.4.2. The Cartesian coordinate (x) files
+-----------------------------------------
+
+The file with name COORD_clust.x contains the Cartesian coordinates of the
+alpha-carbon and side-chain-center coordinates. The coordinate format is
+as in section 9.1.2 of UNRES description and the first line contains the
+following items:
+
+Number of the family (format I5)
+UNRES free energy of the conformation (format f12.3)
+Free energy of the entire family (format f12.3)
+number of disulfide bonds (format i2)
+list disulfide-bonded pairs (format 2i3)
+conformation class number (0 if not provided) (format i10)
+
+6.4.3. The PDB files
+--------------------
+
+The PDB files are in standard format (see
+ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_Letter.pdf).
+The ATOM records contain Calpha coordinates (CA) or UNRES side-chain-center
+coordinates (CB). For oligomeric proteins chain identifiers are present
+(A, B, ..., etc.) and each chain ends with a TER record. Coordinates of a
+single conformation or multiple conformations The header (REMARK) records
+and the contents depends on cluster run type. The next subsections are devoted
+to different run types.
+
+6.4.3.1. CLUST-UNRES runs
+---------------------------
+
+The files contain the members of the families obtained from clustering such
+that the lowest-energy conformation of a family is within ECUT kcal/mol higher
+in energy than the lowest-energy conformation. Again, within a family, only
+those conformations are output whose energy is within ECUT kcal/mol above
+that of the lowest-energy member of the family. Families and the members
+of a family within a family are ranked by increasing energy. The file names are:
+
+COORD_xxxx.pdb where xxxx is the number of the family, if the family contains
+ only one member of if only one member is output.
+
+COORD_xxxx_yyy.pdb where xxxx is the number of the family and yyy is the number
+ of the member of this family.
+
+An example is the following:
+
+REMARK R0001 ENERGY -2.93843E+03
+ATOM 1 CA GLY 1 0.000 0.000 0.000
+ATOM 2 CA HIS 2 3.800 0.000 0.000
+ATOM 3 CB HIS 2 5.113 1.656 0.015
+ATOM 4 CA VAL 3 5.927 -3.149 0.000
+.
+.
+.
+ATOM 346 CB GLU 183 -43.669 -32.853 -7.320
+TER
+CONECT 1 2
+CONECT 2 4 3
+.
+.
+.
+CONECT 341 343 342
+CONECT 343 344
+CONECT 345 346
+
+where ENERGY is the UNRES energy. The CONECT records defined the Calpha-Calpha
+and Calpha-SC connection.
+
+6.4.3.2. CLUST-WHAM runs
+--------------------------
+
+The program generates a file for each family with its members and a summary
+file with ensemble-averaged conformations for all families. These are described
+in the two next sections.
+
+6.4.3.2.1. Conformation family files
+------------------------------------
+
+For each family, the file name is COORD_TxxxK_yyyy.pdb, where yyyy is the
+number of the family and xxx is the integer part of the temperature (K).
+The first REMARK line in the file contains the information about the free
+energy and average rmsd of the entire cluster and, for each conformation,
+the initial REMARK line contains these quantities for this conformation.
+Same applies to oligomeric proteins, for which the TER records separate the
+chains and the ENDMDL record separates conformations.
+An example is given below.
+
+REMARK CLUSTER 1 FREE ENERGY -7.65228E+01 AVE RMSD 8.22
+REMARK 1BDD L18G full clust ENERGY -7.33241E+01 RMS 10.40
+ATOM 1 CA VAL 1 18.059 -33.585 4.616 1.00 5.00
+ATOM 2 CB VAL 1 18.720 -32.797 3.592 1.00 5.00
+.
+.
+.
+ATOM 115 CA LYS 58 29.641 -44.596 -8.159 1.00 5.00
+ATOM 116 CB LYS 58 27.593 -45.927 -8.930 1.00 5.00
+TER
+CONECT 1 3 2
+CONECT 3 5 4
+.
+.
+CONECT 113 114
+CONECT 115 116
+TER
+REMARK 1BDD L18G full clust ENERGY -7.33240E+01 RMS 10.04
+ATOM 1 CA VAL 1 3.174 2.833 -34.386 1.00 5.00
+ATOM 2 CB VAL 1 3.887 2.811 -33.168 1.00 5.00
+.
+.
+ATOM 115 CA LYS 58 16.682 6.695 -20.438 1.00 5.00
+ATOM 116 CB LYS 58 18.925 5.540 -20.776 1.00 5.00
+TER
+CONECT 1 3 2
+CONECT 3 5 4
+CONECT 113 114
+CONECT 115 116
+TER
+
+6.4.3.2.2. Average-structure file
+---------------------------------
+
+The file name is COORD_T_xxxK_ave.pdb. The entries are in pairs; the first
+one is cluster-averaged conformation and the second is a family member which
+has the lowest rmsd from this average conformation. Computing average
+conformations is explained in section 2.5 of ref 3. Example excerpts from
+an entry corresponding to a given family are shown below. The last
+number in each ATOM record is the rmsd of the mean coordinate of a given
+atom averaged over the cluster.
+
+REMAR AVERAGE CONFORMATIONS AT TEMPERATURE 300.00
+REMARK CLUSTER 1
+REMARK 2HEP clustering 300K ENERGY -8.22572E+01 RMS 3.29
+ATOM 1 CA MET 1 -17.748 48.148 -19.284 1.00 5.96
+ATOM 2 CB MET 1 -17.373 47.911 -19.294 1.00 6.34
+ATOM 3 CA ILE 2 -18.770 49.138 -18.133 1.00 3.98
+.
+.
+.
+ATOM 80 CB PHE 41 -14.353 44.680 -15.642 1.00 2.62
+ATOM 81 CA ARG 42 -11.619 41.645 -13.117 1.00 4.06
+ATOM 82 CB ARG 42 -11.330 40.378 -13.313 1.00 5.19
+TER
+CONECT 1 3 2
+CONECT 3 5 4
+.
+.
+.
+CONECT 76 78 77
+CONECT 78 79
+CONECT 79 80
+CONECT 81 82
+TER
+REMARK 2HEP clustering 300K ENERGY -8.22572E+01 RMS 3.29
+ATOM 1 CA MET 1 -37.698 40.489 -32.408 1.00 5.96
+ATOM 2 CB MET 1 -38.477 39.426 -34.159 1.00 6.34
+.
+.
+.
+ATOM 80 CB PHE 41 -35.345 50.342 -31.371 1.00 2.62
+ATOM 81 CA ARG 42 -33.603 54.332 -27.130 1.00 4.06
+ATOM 82 CB ARG 42 -33.832 53.074 -24.415 1.00 5.19
+TER
+CONECT 1 3 2
+CONECT 3 5 4
+.
+.
+.
+CONECT 76 78 77
+CONECT 78 79
+CONECT 79 80
+CONECT 81 82
+TER
+
+
+6.5. The conformation-distance file
+-----------------------------------
+
+The file name is INPUT_clust.rms. It contains the upper-diagonal part of
+the matrix of rmsds between conformations and differences between their
+energies:
+
+i,j,rmsd,energy(j)-energy(i) (format 2i5,2f10.5)
+
+where i and j, j>i are the numbers of the conformations, rmsd is the rmsd
+between conformation i and conformation j and energy(i) and energy(j) are
+the UNRES energies of conformations i and j, respectively.
+
+6.6. The clustering-tree PicTeX file
+------------------------------------
+
+This file contains the PicTeX code of the clustering tree. The file name is
+INPUT_clust.tex. It should be supplemented with LaTeX preamble and final
+commands or incorporated into a LaTeX source and compiled with LaTeX. The
+picture is produced by running LaTeX followed by dvips, dvipdf or other command
+to convert LaTeX-generated dvi files into a human-readable files.
+
+7. SUPPORT
+----------
+
+ Dr. Adam Liwo
+ Faculty of Chemistry, University of Gdansk
+ ul. Sobieskiego 18, 80-952 Gdansk Poland.
+ phone: +48 58 523 5430
+ fax: +48 58 523 5472
+ e-mail: adam@chem.univ.gda.pl
+
+ Dr. Cezary Czaplewski
+ Faculty of Chemistry, University of Gdansk
+ ul. Sobieskiego 18, 80-952 Gdansk Poland.
+ phone: +48 58 523 5430
+ fax: +48 58 523 5472
+ e-mail: czarek@chem.univ.gda.pl
+
+Prepared by Adam Liwo, 02/19/12
projects / unres.git / blobdiff