AMBER Archive (2007)

Subject: Re: AMBER: generating a .rst file from an .mdcrd file

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Mon Aug 27 2007 - 14:15:23 CDT

Have you tried using ptraj? trajout has a 'restart' option to write
restart files.

Gustavo.

On 8/27/07, Thomas Pochapsky <pochapsk_at_brandeis.edu> wrote:
> Hi, is there a straightforward way to generate a restart (.rst) file
> from a single .mdcrd frame retaining periodic boundary conditions? I
> tried using moilview (save first coordinates) option, but this
> doesn't seem to retain the periodic boundary conditions..
>
> Thanks in advance,
> Tom Pochapsky
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