Justin,
Thanks,
Bartimaeus
-Original Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
On Behalf Of Justin
Lemkul
Sent: Thursday, January 17, 2019 2:44 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] use of DPOSRES without pdb2gmx
On 1/17/19 3:33 PM, pbusc
On 1/17/19 3:33 PM, pbusc...@q.com wrote:
Dear Users,
Suppose you do not use pdb2gmx and therefore do not use the -I option for
all constraints. Suppose further you do not generate a restraint file for
the non-protein molecules in the model.
Then what effect, if any, does setting
Dear Users,
Suppose you do not use pdb2gmx and therefore do not use the -I option for
all constraints. Suppose further you do not generate a restraint file for
the non-protein molecules in the model.
Then what effect, if any, does setting constraints = all-bonds or h-bonds
have ?
Thanks
