Re: [AMBER] Xparmed.py

From: Arun Srikanth <askforarun.gmail.com>
Date: Wed, 24 Sep 2014 11:22:23 -0400

Thanks jason that's what I am doing now (using sort and diff). But wanted
to know whether it is possible ?

Arun



On Wed, Sep 24, 2014 at 10:49 AM, David A Case <case.biomaps.rutgers.edu>
wrote:

> On Wed, Sep 24, 2014, Arun Srikanth wrote:
> >
> > I want to see only angles that contain both "1 and 2" with all the other
> > atoms. I am not sure how to set the mask for this
> >
> > .1-2 or @1.2 implements atom 1 or atom 2. But I want @1 and @2.
>
> Simple answer to to use the masks above, then post-process the output to
> remove lines that don't involve both atoms.
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 24 2014 - 08:30:03 PDT
Custom Search