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Hi-- > I read some of the inp scripts on the ginputs folder, trying to > understand the meaning of the several flags inside de dynamics > internal statement. Some of them I really do not know its purpose. > Is this information somewhere else? there are a few sources of help: 1) online help: % xplor X-PLOR>dynamics internal Internal Dynamics>help 2) the IVM paper: Schwieters, C.D. & Clore, G.M. (2001) Internal coordinates for molecular dynamics and minimization in structure determination and refinement. J. Magn. Reson. 152, 288-302. 3) the help pages for the python IVM interface: in helplib/nih-py-ivm for the query in the subject string: ``powell'' directs the ivm to perform powell minimization ``pc6'' directs the ivm to perform dynamics (using the pc6 integrator) regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFAW3aNPK2zrJwS/lYRArDvAJ42a4/M8+SRRQmmWkclkz3mIXk+MwCfb9X+ hCkbVy5E02QsHcz4fsJlGlQ= =nHyW -----END PGP SIGNATURE-----
