Dear Vishal,
you do not set iwrap in restart file. You should just add 'iwrap=1' to
your MD input file.
Kind reards,
Szymon Zaczek
2017-05-11 9:23 GMT+02:00 Vishal Nemaysh <vishal.bioinfotech.gmail.com>:
> Dear amber Developers,
>
> As your earlier suggestion for the
> solution for the error as follow
> "*ERROR: Could not read coords from .rst file"* is
>
>
>
>
>
>
> *Search for "****" in your restart files; this arises in long
> simulations because the system has drifted to a location too large to put
> into the fixed format of the restart file. This usually works: start from
> the last good restart file, and set iwrap=1. That should keep the system in
> the primary unit cell and avoid the problem.*
>
> Sir in this solution where I set the "*iwrap=1" *in restart file.
>
> Please kindly suggest me I am stuck it here.
> Thanking You,
> --
> *Vishal Nemaysh, PhD*
> *Neuropharmaceutical Chemistry Group,*
> *Dr. B. R. Ambedkar Center for Biomedical Research,*
> *University of Delhi, Delhi-110007, INDIA*
> *Email: vishal.bioinfotech.gmail.com <vishal.bioinfotech.gmail.com>*
> *LinkedIn: vishalnemaysh.hotmail.com <vishalnemaysh.hotmail.com>*
> *Mobile: 91+8447581401, 91+9650736653*
> *======================================*
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Received on Thu May 11 2017 - 01:30:02 PDT
