Hello Sir,
I want to minimize my protein-ligand complex in AMBER using the following
command:
$AMBERHOME/bin/sander -O -i min.in -o min.out -p com_solvated.prmtop -c
com_solvated.inpcrd -r min.rst -ref com_solvated.inpcrd -inf min.mdinfo
The run terminated with this:
forrtl: severe (168): Program Exception - illegal instruction
Image PC Routine Line
Source
sander 000000000097D7A3 Unknown Unknown Unknown
sander 00000000004C30B2 Unknown Unknown Unknown
sander 00000000004AD461 Unknown Unknown Unknown
sander 00000000004A7287 Unknown Unknown Unknown
sander 0000000000415E2C Unknown Unknown Unknown
libc.so.6 000000352EA1ED5D Unknown Unknown Unknown
sander 0000000000415D29 Unknown Unknown Unknown
I did'nt get any min.rst file. I am attaching my min.out file herewith,
please help.
Best Regards,
*Neha*
Research Scholar,
Centre for Computational Biology and Bioinformatics,
School of Life Sciences,
Central University of Himachal Pradesh,
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- application/octet-stream attachment: min.out
Received on Fri Feb 12 2016 - 22:30:03 PST
