From: Ming Tang <m21.tang.qut.edu.au>
Date: Thu, 4 Mar 2021 05:04:27 +0000

Dear Amber experts,

In this tutorial(http://ambermd.org/tutorials/advanced/tutorial4/<http://ambermd.org/tutorials/advanced/tutorial4/>), makeDIST_RST can generate sander distance restraint format between two atoms with a 7 colomn input file. May I ask is there a similar script that can generate the sander format of distance restraint between the center of mass of two group of atoms (atoms in each group are from the same residue) automatically by providing similar input as 7col.dist except that 1 residue has a number of atoms in one row?

Many thanks,
AMBER mailing list
Received on Wed Mar 03 2021 - 21:30:02 PST
Custom Search