AMBER Archive (2007)

Subject: Re: AMBER: solvent accessible surface area (SASA)

From: David A. Case (case_at_scripps.edu)
Date: Thu Mar 01 2007 - 10:47:19 CST

On Thu, Mar 01, 2007, Esther Brugger wrote:
> Thanks for your reply. Here is the command and input file that I used.

> $AMBERHOME/exe/sander -O -i SASA.in -p prmtop -c mdcrd -o SASA.out
> &cntrl
> imin = 5,
> gbsa=2,
> surften=1
> /

Note that you need a title line (can be blank) *before* the &cntrl line. That
is probably the origin of this error:

> forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read
> Image PC Routine Line Source
> sander 081A86F6 Unknown Unknown Unknown

...dac

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