Dear Sir,
When I was trying to calculate MMPBSA for a complex, my job got killed
after "calculating complex contribution" due to time limit that was
given to me. Kindly suggest me how to extend the calculation from where
it got killed. I am using AmberTools13 with fallowing parameters
Input file for running PB and GB in serial
&general
endframe=2000, keep_files=2,
/
&gb
igb=5, saltcon=0.100,
/
&pb
inp=2,
istrng=0.100,
/
Thanks & Regards
--
Arun Kumar Somavarapu
Project Fellow,
Dr. Pawan Gupta Lab,
Protein Science and Engineering Dept,
Institute of Microbial Tecnology,
Sec 39-A, Chandigarh - 160036.
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Received on Sat May 17 2014 - 05:00:02 PDT
