Re: [AMBER] problem in solvation

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 8 Nov 2011 15:05:19 -0800

Hi Senthil,

> complex = combine {protein HQN MYR1 MYR2 MYR3 MYR4 MYR5 MYR6}

This is unusual - if you just 'savepdb complex' at this point,
is the structure reasonable? Maybe the default coordinates of
all these units would fall in the right place without loadpdb
assigning them, but if so I would be surprised. But even in
that case, you are taking a route for building the system that
few have used before, I believe, and this could explain why it
hasn't been seen before. Certainly it is one that I never thought
to test.

Bill

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 08 2011 - 15:30:04 PST
Custom Search