[gmx-users] pdb2gmx error "residue not found in residue topology database"

[su]

Peter, This question was for Ali.H.. 😉

Sent from my iPhone

> On 09-Jul-2015, at 5:20 pm, Peter Stern <peter.stern at weizmann.ac.il> wrote:
> 
> I never did that.
> 
> 
> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of su
> Sent: Wednesday, July 08, 2015 11:26 PM
> To: gmx-users at 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 ordinates. 
> 
> Sent from my iPhone
> 
>> On 08-Jul-2015, at 11:16 pm, Peter Stern <peter.stern at weizmann.ac.il> wrote:
>> 
>> 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.kazaure at yahoo.com> wrote:
>>> 
>>> 
>>> 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 topology for my peptide using GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656) I was promoted with an error "residue not found in residue topology database” I checked  GROMACS website at http://www.gromacs.org/Documentation/Errors I learned the residue must have the same name as in the force field, please I don’t know the naming convention of this force field please HELP.
>>> 
>>> Thanks 
>>> Ali H.
>>> Department of Chemistry
>>> University Dutse
>>> 
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