[gmx-users] scaling pressure
mo_alaei at hotmail.com
Tue Aug 20 11:49:48 CEST 2002
Erick wrote at Sun, 18 Aug 2002 10:36:13 with subject"Re: [gmx-users]
Amorphous polymer and periodic box":
>The normal way to simulate polymers is to have a long molecule and >let it
>interact with itself if it's longer than the box. You'll probably have to
>start with an extended >molecule in a very long box at higher temperature,
>and then gradually use pressure scaling to shrink >the box (and let the
>molecule cross the box boundary).
how can I scale pressure?
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