sulatha M. S wrote:
Hi !
I am trying to reproduce results from reported polyacrylate simulations
from literature. I have the values for bonded and non-bonded interaction
parameters along with the the charges on atoms. I edited the charges and
charge groups in the itp file. I would
Hi !
>
I am trying to reproduce results from reported polyacrylate simulations from
literature. I have the values for bonded and non-bonded interaction
parameters along with the the charges on atoms. I edited the charges and
charge groups in the itp file. I would like to know whether in the [bon
Mark Abraham wrote:
On 03/02/10 15:55, sulatha M. S wrote:
Dear gromas users,
I am new to gromacs and trying to run polyacrylate MD simulation. I
obtained an itp file using PRODRG (gromos 96 force-field parameters).
When I compare with the same forcefield parameters in the gromacs/top
director
On 03/02/10 15:55, sulatha M. S wrote:
Dear gromas users,
I am new to gromacs and trying to run polyacrylate MD simulation. I
obtained an itp file using PRODRG (gromos 96 force-field parameters).
When I compare with the same forcefield parameters in the gromacs/top
directory, they are far too off
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