Dear gmx users,
I’m a NAMD user and want to use gromacs 4.5.4 analysis tools for my NAMD output
files. I have some NAMD output files : output.coor , output.vel , output.dcd
(binary coordinate trajectory output file). Can I convert these output files
into gromacs output files and use gromacs 4.5.
Dear All,
I want to calculate rdf for carbon-oxygen, carbon-hydrogen and carbon-water
using g_rdf but how can I generate an .ndx file that are suitable for these
systems ? I searched mailing list and read manual but couldn't generate .ndx
file using make_ndx tool. However, I tried to see the ma
Dear Gromacs Users,
I’m interested in n-alkanes and evaluating thermophysical and structural
properties of n- alkanes and binary mixtures of n-alkanes. I want to use
Gromacs and the force fields in Gromacs for my n-alkanes simulations. And I
want to ask some questions to you. First, I’m pla
Dear
All,
I'm
new to Gromacs and have some questions to learn the answers. I study
on one type molecule. If I want to add lets say 240 molecules, which
is the best way to use editconf or genbox ? And I learned the
procedure of using more t
___
From: Justin A. Lemkul
To: Discussion list for GROMACS users
Sent: Friday, March 13, 2009 8:25:14 PM
Subject: Re: [gmx-users] using more than one type of molecules
Molecular Dynamics wrote:
>
>
> Dear All,
>
>
> I'm new to Gromacs and have some questions t
5 matches
Mail list logo