AMBER Archive (2009)

Subject: Re: [AMBER] Problems using nmode in NAB

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Wed Jun 24 2009 - 03:52:30 CDT

Hi Eduardo,
I vaguely remember the calling conventions for nmode changed somewhere in
time. However, crambin.nab works for me (versions from amber10 and amber11
being identical. It seems you are still using some old version from
nab5.x.
Anyway, if you find a line like
ier = nmode( x, 3*m.natoms, mme2, 0);
...try changing it to
ier = nmode( x, 3*m.natoms, mme2, 0,0,0.0,0.0,0);

I hope that helps,
good luck
Andreas

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