[gmx-users] Re: One molculetype for 3 proteins
s.neumann08 at gmail.com
Fri May 25 10:57:43 CEST 2012
On Thu, May 24, 2012 at 10:04 PM, Francesca <francesca.stanzione at unina.it>wrote:
> I checked and the resul is the same...but now I know I can use -chainsep
Yes, it works (-chainsep interactive: merge = no ) but when you process to
grompp there is an error:
Unknown cmap torsion between atoms 6002 6004 6006 6017 6021
pdb2gmx takes the cmap for the atoms e.g. last two residues of chain A with
first three residues of chain B. Does removing this lines will be
reasonable or some torsions wont be taken into account?
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