Oh! maybe...Should I put the complete path?
This file is in a folder called tar, which is inside another folder.
I'm going to launch again this MD with the change: DISANG=./tar/restraints.in
Thanx you so much!
Myriam
David Case <david.case.rutgers.edu> escribió:
> On Tue, Sep 24, 2019, MYRIAN TORRES RICO wrote:
>>
>> The script is:
>>
>>
>> srun pmemd.MPI -O -i ./tar/TAR.in -p ./leap/smp-191-ptn4rig.top -c
>> ./pcte/smp-191-ptn4rig_pcon.rst -r ./tar/smp-191-ptn4rig_tar.rst -o
>> ./tar/smp-191-ptn4rig_tar.out -inf ./tar/smp-191-ptn4rig_tar.info -e
>> ./tar/smp-191-ptn4rig_tar.enr -x ./tar/smp-191-ptn4rig_tar.mdcrd -ref
>> ./tar/smp-191-ptn4rig_pcon.rst
>>
>> DISANG=./restraints.in
>
> Are you sure this should not be something like
> DISANG=./tar/restraints.in?
>
>> Warning: Error opening "Old" file from subroutine OPNMRG
>> File = ./restraints.in
>
> For whatever reason, the program cannot find this file: you need to play
> around to find out why. I notice that all your other files are in
> subdirectories, hence my guess (it is only that) that the restraints.in
> file may be in some subdirectory as well.
>
> ....dac
>
>
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Received on Tue Sep 24 2019 - 07:00:02 PDT
