Firstly, Segmentation fault is a general error message, can you post any log files.
Secondly, can tell us what are trying to simulate (little more details are needed)
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Nikolay N. Kuzmich [mailto:nnkuzmich.gmail.com]
Sent: Tuesday, February 21, 2017 7:34 PM
To: amber.ambermd.org
Subject: [AMBER] Segmentation fault when starting parmchk2 for a modified aminoacid residue
Dear Amber users,
preparing necessary files for simulation of a protein with modified serine residue, I was checking the presense of parameters via parmchk2 application just as it is described in the "Simulating the Green Fluorescent Protein" tutorial.
parmchk2 -i Ser630_bound.prepin -f prepi -o frcmod.adf -a Y -p \ $AMBERHOME/dat/leap/parm/parm10.dat
The own generated prepin file was employed.
And then I got message "Segmentation fault".
I have found the similar report about this error in the archive via google but still hardly know what to do.
Is it a problem with my prepin file?
What should I pay attention to in it?
And what can be wrong there?
Thank you in advance,
Nick
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Received on Tue Feb 21 2017 - 08:30:03 PST
