restraints and constraints in NAMD

From: Lara rajam (
Date: Tue Feb 21 2017 - 17:42:40 CST

Good evening
I would like to use the torsional restraints in the simulation.
I would like to know how the atom numbers should be given in order.
For eg., when we write a solvated and counterion added pdb, do we need to
take the respective atom number by looking in to it. But, when I read the
constraints and Restraints page , it says In all
cases <atom> is a *zero-based* atom index , so the atom number should be
one less than the pdb file should be given since in pdb file it starts from
any input on this will be much appreciated.

Thank you

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:07 CST