[gmx-users] Re Multiple Chains

C Johnson 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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