[gmx-users] Distance restraints
mark.j.abraham at gmail.com
Tue May 21 17:11:46 CEST 2013
You can't - the atoms must be part of the same [moleculetype]. The good
news is that a [moleculetype] can have whatever you want in it, so you can
have more than one molecule. The bad news is that you'll have to be cunning
with renumbering atoms in the merged [moleculetype] and there's no tools
that do that. (Or maybe there's a smart-alec trick using the pull code, but
I have no idea what.)
On Tue, May 21, 2013 at 4:20 PM, Rama <ramkishna72 at gmail.com> wrote:
> Dear Gromacs users,
> How to define distance restraints between two molecules(protein and a
> in a topology file.
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