[gmx-users] (no subject)
R C Dash
rcdash0910 at gmail.com
Fri Oct 27 15:07:49 CEST 2017
use trjconv command with nojump option to center all the peptide. Use the
starting structure as the starting configuration.
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,*
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