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