AMBER Archive (2005)

Subject: Re: AMBER: spherical boundary condition

From: protege_at_snu.ac.kr
Date: Mon Mar 14 2005 - 11:43:14 CST

Hi,

 

I have posted the same question before. 
 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 let me know if you find a way to do it. 
 Thanks.

 

Soo

>Dear Amber users,

>

>I am trying to setup GB simulation of multiple peptides.

>I would like to use a spherical boundary condition to "restraint"

>peptides in a limited spherical space.

>

>I go through the Amber 8 manual, but did not find any hint.

>It seems this problem has been asked in amber mailing list before,

>however, I can not find the clear solution.

>Could someone have experience on this problem give me some hints?

>Any suggest is appreicated. Thanks.

>

>Gavin

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu