...@maillist.sys.kth.se] On Behalf Of su
Sent: Wednesday, July 08, 2015 11:26 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] pdb2gmx error residue not found in residue
topology database
How you converted the gaussian file into .pdb? Because once i did the same
and suffered from some missing co
...@maillist.sys.kth.se] On Behalf Of su
Sent: Wednesday, July 08, 2015 11:26 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] pdb2gmx error residue not found in residue topology
database
How you converted the gaussian file into .pdb? Because once i did the same
and suffered from some missing co
I never did that.
-Original Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of su
Sent: Wednesday, July 08, 2015 11:26 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] pdb2gmx error residue
Dear gmx-users,
I am really new in this field of endeavour and I am trying investigate the
solubility of peptides in organic solvents, I built a simple tripeptide
(gly-gly-gly) using Gaussian 5.0 and I convert the output file(.out) to .pdb. I
am now trying to use pdb2gmx tool to generate
Look at the file: residuetypes.dat in the ../top/ directory of your
installation.
It lists all the residue names and more.
Peter Stern
Weizmann Institute
Sent from my iPad
On 8 ביולי 2015, at 17:45, Hamisu Aliyu Mohd hamisu.kaza...@yahoo.com wrote:
Dear gmx-users,
I am really new in
How you converted the gaussian file into .pdb? Because once i did the same and
suffered from some missing co ordinates.
Sent from my iPhone
On 08-Jul-2015, at 11:16 pm, Peter Stern peter.st...@weizmann.ac.il wrote:
Look at the file: residuetypes.dat in the ../top/ directory of your
