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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 case <case.biomaps.rutgers.edu> wrote: On Tue, Feb 21, 2012, leila karami wrote: > > Since all atoms, except the ones in scmasks must be identical in their > starting positions and order in the prmtop, I must do mutation by leap. How > to do mutation by leap. I couldn't find tutorial about my case. I don't see that this means you have to use LEaP to do the modifications. A lot depends on where your structures (of either end point) come from. If it is really just a G->A swap on one side, and C->T on the other, you can use the visual in editor in LEaP (or lots of other programs) to make a few changes, then save the pdb files. ...good luck...dac _____________________________________________ 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 Thu Feb 23 2012 - 23:30:02 PST