Sir/Mam,
I have been running '*A Coupled Potential QM/MM Simulation*' in Amber9 for
my project work in Neuraminidase protein of H1N1. Starting from initial
steps, the parameter was successfully run till 'Classical MD' i.e.
min_classical.in using sander. But on step 'md_classical.in' the sander is
running endlessly without giving any output. The maximum time I waited for
result was 2 days. Hereby, I have attached the script file for running
sander i.e. 'md_classical.in' file. Will be thankful to you for a positive
reply.
--
Thanks and Regards,
'Sanjay Kundu'
Mb.No:9540532962
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Received on Mon Apr 11 2011 - 23:00:03 PDT
