[gmx-users] Re: Problem in Disulfide Bond
olivercgrant at gmail.com
Thu Jan 20 14:21:46 CET 2011
In the pdb, before pdb2gmx, rename the CYS residues involved in the S-S
bonds as CYS2.
If you don't know this then you need to read everything on this page about
using the amberports:
As you may have other issues with HIS and LYS residues.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users