X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_gab%2F1L2Y_MD.inp;fp=examples%2Funres%2Fnew%2FMD%2FLangevin%2Fff_gab%2F1L2Y_MD.inp;h=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hp=d5b336435b9509beb81b77ade5c99d808c388e9d;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30;p=unres.git

diff --git a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.inp b/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.inp
deleted file mode 100644
index d5b3364..0000000
--- a/examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.inp
+++ /dev/null
@@ -1,15 +0,0 @@
-1L2Y with Langevin thermostat in ff_gab MD simulation
-SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=1                  &
-t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=512
-WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
-WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
-WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
-WVDWPP=0.11371 WHPB=1.00000                                                    &
-CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
-../../../1L2Y.pdb
-22
- D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
- SER D  
- 0
- 0