Re: [AMBER] imin=5 fails to produce output

From: Casalini Tommaso <tommaso.casalini.chem.ethz.ch>
Date: Thu, 26 Sep 2019 15:41:14 +0000

Dear Jack,

I had the same problem.

If I remember correctly, this is a known bug.

However, I do not know whether it has been solved or not (I am still interested!).

Best regards,

Tommaso

________________________________
Da: Jack Shepherd <jack.shepherd.york.ac.uk>
Inviato: giovedý 26 settembre 2019 17:04:38
A: AMBER Mailing List
Oggetto: [AMBER] imin=5 fails to produce output

Hi all

Trying to calculate forces using imin=5, my input file and command are:

&cntrl
 igb=1, saltcon=0.2,
 imin=5,
 ntwf=1, ioutfm=0,
/
~/Downloads/amber18/bin/sander -O -i force.in -y traj.x -p start.prmtop -c
start.inpcrd

Nothing is written to the force output file, There are no errors reported
in mdout. Any help appreciated, I am using the latest AmberTools

All best
jack
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Received on Thu Sep 26 2019 - 09:00:03 PDT
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