Re: [AMBER] possible bug - SIGSEGV in cpptraj called from MMPBSA.py

From: Daniel Roe via AMBER <amber.ambermd.org>
Date: Tue, 6 Dec 2022 10:43:14 -0500

Hi,

On Tue, Dec 6, 2022 at 10:21 AM Andrzej Dorobisz
<andrzej.dorobisz.cyfronet.krakow.pl> wrote:
> Thank you for the quick reply. I can send the topology file but I don't
> know how to extract frames from the trajectory file (../input/E81A.nc).

The input would be something like:

parm E81A.top
trajin E81A.nc 1 10
trajout E81A.1-10.nc

-Dan

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 06 2022 - 08:00:03 PST
Custom Search