Re: [AMBER] pdb snapshots

From: David A Case <>
Date: Tue, 14 Nov 2017 08:26:08 -0500

On Tue, Nov 14, 2017, Lizelle Lubbe wrote:
> I used the following to create pdb snapshots of my trajectory:
> trajin
> trajout snapshot.pdb pdb offset 15 multi vdw pdbv3 conect keepext
> Unfortunately the pdb extension is not kept (files are named
> snapshot.pdb.1 etc) and the conect records are not written at the end

Which version of cpptraj are you using? (It's printed out at the top of the
output). Simplest explanation is that you are using old code.

Also, look in the cpptraj output to see if it says anything about arguments
not being processed.


AMBER mailing list
Received on Tue Nov 14 2017 - 05:30:02 PST
Custom Search