[AMBER] can't mutated Pro to Ala correctly during generating snapshots

From: 刘兰茹 <liulr13.mails.jlu.edu.cn>
Date: Tue, 27 Jun 2017 11:32:30 +0800(CST)

   Hello,

        âRecently, I use mm_pbsa.pl program for alanine scanning. But I met
   some troubles when generating snapshots with "AS = 1". It is successful when
   the mutated residue is LYS or CYS. But I can't get correct atom numbers when
   the mutated residue is PRO. When the parameter "MUTATE_ATOM1" set to CG and
   parameter "MUTATE_ATOM2" set to 0, the atom numbers lack 3.When the
   parameter "MUTATE_ATOM1" set to CG and parameter "MUTATE_ATOM2" set to CD,
   the atom numbers lack 5.

         So please give me some suggestions for values of parameter
   "MUTATE_ATOM1", "MUTATE_ATOM2", "MUTATE_KEEP" and "MUTATE_REFERENCE". Thank
   you!
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 26 2017 - 21:00:03 PDT
Custom Search