Re: AMBER: MD with positional and NMR restraints

From: David A. Case <>
Date: Thu, 7 Dec 2006 15:54:33 -0800

On Thu, Dec 07, 2006, Mike Summers wrote:

> Thanks David. I thought I had tried that before, but apparenly I
> had left off the comma after the 'END' statement.

Ooo, that is wicked. For my test (with g95) it doesn't matter whether
or not the comma is there. But namelist is not implemented the same way on
all compilers. Generally, it is safest to always end every entry with a

> It's working great now.

Great....good luck...dave

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Dec 08 2006 - 16:23:21 PST
Custom Search