Hello,
I am currently using GROMACS 4. When trying to process the pdb file
with pdb2gmx, an error message came up stating that a particular residue was
not recognized by the residue topology database. I then tried to adding a
molecule in the ffrtp file and adding the name in aminoacids.da
, Chanel Chonda wrote:
> Hello,
> I am currently using GROMACS 4. When trying to process the pdb file
> with pdb2gmx, an error message came up stating that a particular residue
was
> not recognized by the residue topology database. I then tried to adding a
> molecule in the ff.
Hello,
I have recently made a pdb file using the Dundee PRODRG server.
However, when I try to use this pdb in gromacs, I receive an error message
that states: "DRG is not in the topology database." I have tried to use the
available tutorial to solve this issue, but with not much success. Cou
In the drug-enzyme tutorial it says that the crude was refined using a
certain force field, SD, and CG. How was this accomplished?
-Original Message-
From: gmx-users-boun...@gromacs.org on behalf of Justin A. Lemkul
Sent: Wed 10/7/2009 1:11 PM
To: Discussion list for GROMACS users
Subject:
What are the main differences between the force fields used in gromacs? In
which scenarios are each force field better to use?
Chanel
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