2015 14:11
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Force field selection for free Bicarbonate molecules
in solution
On 9/4/15 9:07 AM, Faulkner, Matthew wrote:
> Thank you Justin,
>
> Do you know a suitable force field to use for a topolgy from PRODRG? I am
> aware that the t
Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Faulkner,
Matthew &l
field selection for free Bicarbonate molecules
in solution
On 9/4/15 7:42 AM, Faulkner, Matthew wrote:
> I am trying to find a suitable force field for using Bicarbonate in an
> aqueous environment in my MDS. I can't find anything where Bicarbonate has
> been used this way i
the distance between your groups.
Dries
On 13 Apr 2016 3:50 p.m., "Faulkner, Matthew" <m.faulk...@liverpool.ac.uk>
wrote:
> Hi all,
>
> Does anybody have a script, or reference where this has been done, for
> measuring distances between two residues in each time step of
Hi all,
Does anybody have a script, or reference where this has been done, for
measuring distances between two residues in each time step of a simulation and
exporting this data into a handy format like a text or csv file?
I want to measure the distances over time between the nearest atoms of
