Re: [AMBER] Optimization under restraint atoms using ibelly option

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 15 Dec 2014 20:33:59 -0500

On Mon, Dec 15, 2014, Akihiro Yamane wrote:
>
> I ran job bellow, but I found error message in
> Fr-Rh_Ph-Est_-20_-20_vac-12.out file. It said "Could not find cntrl
> namelist".

This error message doesn't appear to have anything to do with whether you
used ibelly or not.

Make sure you have a space at the beginning of the " &cntrl" line, and on
the " /" line. Beyond that, compare input files that "work" with the one
you have that gives this error to try to track things down.

...good luck....dac

p.s.: if adding the space helps, please let us know which compiler you are
using. Some compilers don't require an initial space, and others do...thx.

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Received on Mon Dec 15 2014 - 18:00:03 PST
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