[gmx-users] scaling pressure
lindahl at stanford.edu
Tue Aug 20 19:05:19 CEST 2002
mojtaba alaei wrote:
> Dear All
> 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?
Search for 'pressure coupling' in the manual (I'm sure it's in the
index), and then check the html online documentation for details
on the parameters.
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