IUBio GIL .. BIOSCI/Bionet News .. Biosequences .. Software .. FTP

rigid body minimization

Soumya S. Patnaik MLPJ UTC patnaiss at PICARD.ML.WPAFB.AF.MIL
Tue Mar 19 10:38:15 EST 1996


Dear X-plor users,

I am a new user and am having some difficulty in finding a suitable
'drop' value to be used in Rigid body minimization.  The manual says that it is
the expected drop in energy but as far as I can see, it is not that simple.
The initial step size seems to be equal to {drop value}/{E total **2}.
Is there a rule of thumb about appropriate drop values? Thanks in advance.

Soumya Patnaik


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ Dr Soumya S. Patnaik         email:  patnaiss at picard.ml.wpafb.af.mil +
+ Materials Laboratory, Wright Patterson AFB                           +
+ usmail:  WL/MLPJ, Bldg 651, 3005 P St, Ste 1, WPAFB, OH 45433-7702   +
+ Telephone:  (513) 255-6671 ext.3116           FAX:  (513) 255-1128   +
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



More information about the X-plor mailing list

Send comments to us at archive@iubioarchive.bio.net