Dear Amber User,
I am doing MD simulation of Protein-DNA complex for total 80 ns. I have
been using iwrap=0 for all the production run and it worked fine till
50ns . while extending simulation run after 50ns it is unable to read
restart file. By the help of Amber mailing list I came to know that for
long run MD simulation iwrap=1 should be use.
Now I am running MD with iwrap=1, though it is reading the restart file
I am concerned that if it could affect the calculation during next MD
run.
Any suggestion will be appreciated
Thanks and Regards
--
Pragya Priyadarshini
Junior Research Fellow
C/o Dr. Balvinder Singh
Bioinformatics Center (G N R P C)
Institute of Microbial Technology-CSIR
Sector 39A, Chandigarh-160036, INDIA
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Received on Mon Aug 17 2015 - 04:30:03 PDT
