[gmx-users] GaussView 4.0 and ITP adjuster
mutemibiochemistry at gmail.com
Mon Sep 9 12:53:51 CEST 2013
Check that link and see the role of GaussView in GROMACS.
On Mon, Sep 9, 2013 at 12:46 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:
> GaussView is a supplement to Gaussian to prepare input files and visualize
> some (but far not all) results. Of course, it has nothing to do with
> gromacs and its topologies.
> Or, do I misunderstand you?
> Dr. Vitaly V. Chaban
> On Sun, Sep 8, 2013 at 1:29 PM, MUSYOKA THOMMAS <
> mutemibiochemistry at gmail.com> wrote:
> > Dear Users,
> > I am trying to run Protein-Ligand MD simulations using GROMACS. However,
> > seem to be lost in building correct ligand topologies. I came across an
> > article explaining that the above mentioned softwares can be used to
> > a ligand topology file that can act as a guide in allocating correct
> > charges and charge groups. Is there anyone who have used them before? If
> > you have, would you kindly help me in finding my way especially in
> > generating .out files using the GaussView.
> > Thank you.
> > --
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*MUSYOKA THOMMAS MUTEMI
Mob nos **+27844846540**
B.Sc Biochemistry (Kenyatta University),MSc Pharmaceutical Science
*PhD Student-Bioinformatics (Rhodes University)
*Skype ID- MUSYOKA THOMMAS MUTEMI
Alternative email - thommas at sia.co.ke
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