From: David A Case <>
Date: Thu, 4 Mar 2021 08:41:04 -0500

On Thu, Mar 04, 2021, Ming Tang wrote:

> 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?

There is not any such script, at least that I know of. I think one would
need to modify the makeDIST_RST itself.


AMBER mailing list
Received on Thu Mar 04 2021 - 06:00:08 PST
Custom Search