[gmx-users] (no subject)

[R C Dash]

use trjconv command with nojump option to center all the peptide. Use the
starting structure as the starting configuration.

regards,
RC Dash

On Fri, Oct 27, 2017 at 5:51 AM, saranya <saranyahoney17 at gmail.com> wrote:

> Dear Users,
> I have done a simulation of Aggregated amyloid beta peptide for 100ns. The
> pdb structure choosen for my work is 1IYT, which has several (10) model
> structures, but i have choosen only 4 structure for my simulation. The
> problem is after production, if i check the final .gro files of md instead
> of 4 peptide structure i got only a single peptide structure. What is the
> reason for getting this result?
>
>
> With Regards,
>
> *Saranya Vasudevan,*
>
> *Research Scholar,*
>
> *Molecular Quantum Mechanics Laboratory,*
>
> *Department of Physics,*
>
> *Bharathiar University,*
>
> *Coimbatore-46*
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