[gmx-users] Re Multiple Chains
helstreak at hotmail.com
Wed Sep 15 22:10:28 CEST 2010
> You've indicated in the topology that there are two peptides, but you've only
> built a coordinate file that contains one. If you want to simulate two
> peptides, you have to build a configuration that contains two peptides.
Are you saying that I cannot use the pdb file with a single molecule? I would have to make a pdb file
with multiple molecules instead?
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