Re: [AMBER] Use of amber force field in gromacs

From: David A Case <david.case.rutgers.edu>
Date: Tue, 5 Mar 2019 09:46:23 -0500

On Tue, Mar 05, 2019, Akshay Prabhakant wrote:

>How to use the parmed and amber.python files for conversion of .inprcd and
>.prmtop files to .gro and .top files, so that these can be used in gromacs?
>I have visited this link ambermd.org/parmed_gromacs.html, but
>cannot seem to understand what command to execute(sorry).

You type the commands listed there into a file (say "convert.py"), then
type "amber.python convertpy" at the command line.

We'll try to make this page more straightforward. The author assumed
that the phrase "run amber.python with the following code" would be
understood by everyone, but that is clearly not the case.

....hope this helps....dac


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Received on Tue Mar 05 2019 - 07:00:03 PST
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