Re: [AMBER] frcdump for CHARMM

From: Ross Walker <>
Date: Wed, 16 Jun 2010 02:44:26 -0700

Hi Thomas,

> At and
> it is claimed that c36a2
> (CHARMM) has
> a frcdump command which matches the output of a debug option of AMBER.
> My c36a2 source code (and compiled code) know nothing of frcdump and
> neither
> do the CHARMM forums apparently. How does one obtain a CHARMM version
> which is
> capable of producing the desired output?

This functionality was added to Prof. Charlie Brooks' Charmm development
tree and as such should have made it into the main release but clearly
didn't for reasons I don't know. I am cc'ing Mike Crowley and Mike Garrahan
on this who should be able to provide you with the necessary patches or let
you know which release version of charmm the functionality was added to.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.

AMBER mailing list
Received on Wed Jun 16 2010 - 03:00:05 PDT
Custom Search