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--- Dr. Vlad Cojocaru Max Planck Institute Muenster Roentgenstrasse 20, 48149 Muenster, Germany Tel: +49-251-70365324 Sent from my mobile phone; Sorry for being short and for any errors Jason Swails <jason.swails.gmail.com> wrote: >On Sat, Mar 16, 2013 at 7:04 AM, . mirage <m.o.m.live.fr> wrote: > >> >> Hi, >> Thank's for all reply >> >> My question is to calculate the angle formed between two plan >function of >> time of my trajectory with amber >> Thomas suggest the function "black box" of NAB, is there any >> clarification? >> > >NAB is a program that has numerous options for molecular modeling and >geometric manipulation. Look through the first NAB chapter in the >AmberTools manual to see if any of the functionality will do what you >want. > >If not, you will probably have to write a script or program to >calculate >the angle between the two planes (which I would probably do by >calculating >the angles between the normals of the two planes calculated via the >cross-product of the two vectors making up each angle). I don't think >there is any cpptraj or ptraj command to do exactly what you want. > >HTH, >Jason > >-- >Jason M. Swails >Quantum Theory Project, >University of Florida >Ph.D. Candidate >352-392-4032 >_______________________________________________ >AMBER mailing list >AMBER.ambermd.org >http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Sat Mar 16 2013 - 06:30:02 PDT