On Tue, Apr 15, 2003, Youyi Peng wrote:
> I can't really understand the differnece between ibelly=1 and ntr=1,
> both for frozen /restrained atoms...
ibelly=1 are *con*straints: the frozen atoms cannot move at all.
ntr=1 are *re*straints: the restrained atoms can move, but won't move far;
how far depends on the size of the force constant you use.
I'd recommend restraints to keep the backbone (nearly) fixed, but there is
no fundamental reason not to use constraints...
...good luck...dac
--
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David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
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Received on Wed Apr 16 2003 - 00:53:01 PDT
