[gmx-users] Different Residues...

Dallas Warren Dallas.Warren at monash.edu
Mon Nov 4 23:29:50 CET 2013


http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Ramon Valencia
> Sent: Monday, 4 November 2013 7:17 PM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Different Residues...
> 
> Hello Dear GROMACS users,
> 
> 
> I trying to do a MD calculation using GROMACS, but when I running
> pdb2gmx I
> get the following error:
> 
> Fatal error:
> Residue '' not found in residue topology database
> 
> I'm a beginner GROMACS user, but I want to know exactly, how add my
> residues to GROMACS step by step?. My residues contain S.
> 
> 
> Ramon..
> --
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