RE: AMBER: How to build 1,4-dimethyl benzene with amber9

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 28 Apr 2006 16:46:23 -0700

Hi Martin,

> I understood that the sequence command constructed the new unit from
> the internal coordinates of the fragments.
> Am I mistaken believing it should at least reproduce the geometry
> from the prep file for each fragment,
> though it may get the inter-fragment conformation wrong?

I believe that it would do. I think I misunderstood your previous email. I
didn't realize you were getting the structure of the individual fragments
was coming out wrong. Can you possibly send me your prepin files so I can
try it out myself.

All the best
Ross

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|\oss Walker

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| San Diego Supercomputer Center |
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Received on Sun Apr 30 2006 - 06:07:11 PDT
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