Re: [AMBER] create urea molecule.

From: case <>
Date: Tue, 15 Feb 2011 07:52:30 -0500

On Tue, Feb 15, 2011, subrata paul wrote:

> I converted tripos1.mol2 file according to the the scrip11.ff of REDserver.
> then ssaved the prmtop and inpcrd file. but still not output file was
> written during minimization in sander.why?

There is not enough information given to help very much. If you are not
getting any output file at all, the problem probably has to do with what
arguments you used for the sander command, and not with anything do with
REDserver, etc. In fact, if just type "sander" with no arguments at all,
you will get an output file.

So, you need to look carefully at how you invoked sander. Compare your inputs
with those in the test cases, and see if you can pinpoint what the difference


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Received on Tue Feb 15 2011 - 05:00:04 PST
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