Re: [AMBER] Ambertools17 error: 3D-RISM calculation

From: David A Case <david.case.rutgers.edu>
Date: Thu, 12 Apr 2018 07:51:56 -0400

On Thu, Apr 12, 2018, Fabian Herrera Olivares wrote:
>
>
> At line 293 of file rism3d_solvent_c.F90 (unit = 10)
> ‘: No such file or directory open file ’ /home/fho/Amber/amber16/3-Solvent/SPC_NaCl.xvv

I'm not sure what you think is happening: do you think the SPC_NaCl.xvv
file is actually in the directory above? Have you confirmed this, e.g.
with "ls"?

You can find an equivalent xvv file here:

    $AMBERHOME/dat/rism1d/cSPCE_KH_NaCl_0.1M.xvv

See if pointing the "-xvv" flag to that location helps.

...good luck...dac


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Received on Thu Apr 12 2018 - 05:00:04 PDT
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