AMBER Archive (2000)

Subject: Re: a question about compiling amber6 (fwd)

From: Nelson Teixeira Brito (ntbrito_at_fc.up.pt)
Date: Wed Feb 09 2000 - 10:07:34 CST

  Sorry i misundertood the error message...
  
> that isn't true- if LGRON is a logical variable then the
> condition is just whether it is true or false.
>
> Nelson Teixeira Brito wrote:
>
> > Hello,
> > Yes the condition is missing! There should be something like
> > (LGRON.condition.something), like this LGCLLS.GT.LGSKP-1 for
> > instance. I don't have amber6, so i can't help you further.
> > See what LGRON is and try to write the conditional expression
> > in the correct form.
> > Regards,
> > Nelson
> >
> > > i found a piece of code in src/sander_classic/forcemp.f which cannot go
> > > through the compiling. it's around line 447 of that file which is like
> > >
> > > C For ligand grid calculations, need to determine additional pairs
> > > C for interactions to ligand atoms
> > > C
> > > IF (LGRON) THEN
> > > ^^^^^
> > > IF (FSTCLL .OR. (LGCLLS.GT.LGSKP-1 .OR. LGSKP.LE.0)) THEN
> > > C TINE LGNBAD(IAR1 ,IPAIRS ,JPW ,NPHIH ,
> > > ...
> > >
> > > i got the compiling error which is like
> > >
> > > The conditional expression must be type logical.
> > >
> > > i'm wondering if there is something missing in this conditional expression,
> > > if so, what should be... thanks for any help... frank
> > >
>
> --
> ===================================================================
> Carlos L. Simmerling, Ph.D.
> Assistant Professor Phone: (631) 632-1336 NOTE NEW AREA CODE
> Department of Chemistry Fax: (631) 632-7960
> SUNY at Stony Brook Web: http://morita.chem.sunysb.edu/carlos
> Stony Brook, NY 11794-3400 E-mail: csimmerling_at_sbchem.sunysb.edu
> ===================================================================
>
>
>

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