Re: [AMBER] Tutorial B0

From: Sanmeet Chahal <schah063.uottawa.ca>
Date: Wed, 4 Mar 2015 11:34:51 -0500

Here is the remaining inpcrd and prmtop files.

Best wishes,
Sanmeet

On Wed, Mar 4, 2015 at 8:10 AM, David A Case <case.biomaps.rutgers.edu>
wrote:

> On Tue, Mar 03, 2015, Sanmeet Chahal wrote:
> >
> > I am a new Amber user and so I followed and completed Tutorial B0 up to
> the
> > point of VMD visualization of the result.
> >
> > I am now trying to repeat the tutorial up to this point with a prmtop and
> > inpcrd files that I produce using tleap and a customized frcmod file.
> Here
> > are the steps I take:
>
> >
> > I have attached images of the molecules with which I was able to complete
> > the tutorial using prmtop and inpcrd files produced with steps 1-6.
>
> We will need to get the actual prmtop and inpcrd files to try to debug
> a segfault problem. Was there any output in the mdout file from the
> minimzation step that failed?
>
> ...thanks...dac
>
>
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Received on Wed Mar 04 2015 - 09:00:02 PST
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