Re: AMBER: spherical boundary condition

From: <>
Date: Tue, 15 Mar 2005 02:43:14 +0900 (KST)



I have posted the same question before.&nbsp;
 So far I can not figure
out how to do it. The Watercap option is working only
 with explict water
(not with GB solvation).


PLEASE&nbsp;let me know if you find a way to do it.&nbsp;



&gt;Dear Amber users,


&gt;I am trying to setup GB simulation of multiple peptides.

&gt;I would like to use a spherical boundary condition to "restraint"

&gt;peptides in a limited spherical space.


&gt;I go through the Amber 8 manual, but did not find any hint.

&gt;It seems this problem has been asked in amber mailing list before,

&gt;however, I can not find the clear solution.

&gt;Could someone have experience on this problem give me some hints?

&gt;Any suggest is appreicated. Thanks.



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Received on Mon Mar 14 2005 - 17:53:01 PST
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