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4ea55ef)
error was in wham COMMON.SCCOR
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
& mmaxtheterm=maxtheterm)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
& mmaxtheterm=maxtheterm)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of lobes in SC distribution
integer maxlob
parameter (maxlob=4)
C Max. number of lobes in SC distribution
integer maxlob
parameter (maxlob=4)
& mmaxtheterm=maxtheterm)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
& mmaxtheterm=maxtheterm)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of lobes in SC distribution
integer maxlob
parameter (maxlob=4)
C Max. number of lobes in SC distribution
integer maxlob
parameter (maxlob=4)
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=20)
+ parameter (maxterm_sccor=6)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
common /sccor/ v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
& v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
common /sccor/ v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
& v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp),
- & v0sccor(maxterm_sccor,-ntyp:ntyp),
+ & v0sccor(-ntyp:ntyp,-ntyp:ntyp),
& vlor1sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
& vlor2sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
& vlor3sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
& vlor1sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
& vlor2sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),
& vlor3sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp),