Hi,
I have used eginput/prot_prot/sa_cross_tor.inp as a starting point for a similar calculation that included classic Xplor harmonic plane restraints. I would now like to use the new planeDistPot instead of classic Xplor harmonic plane restraints. I expect that to use planeDistPot one has to use the python versions of the commands for dynamics and energy minimization or can one use the classic Xplor dynamics and energy minimization commands and add planeDistPot to a classic include statement? Can you direct me to any examples which use planeDistPot? I looked at the xplorNIH python reference manual but I can't find the format required for specifying the atoms that define the plane (oAtom, xAtom, and yAtom). Can you provide a description and/or example of the format required for specification of the atoms defining the plane? My calculation will include two molecules, one will undergo dynamics and energy minimization and the other will be fixed and contain the atoms defining the plane. Thanks, Jeff Ellena -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20070928/40c23789/attachment.html
