AMBER Archive (2006)

Subject: Re: AMBER: MD with positional and NMR restraints

From: David A. Case (case_at_scripps.edu)
Date: Thu Dec 07 2006 - 17:54:33 CST

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
comma.

> It's working great now.

Great....good luck...dave

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