From: Ivan Gregoretti (ivangreg_at_gmail.com)
Date: Thu Mar 27 2014 - 07:20:50 CDT
If you are about to submit your dissertation it is perhaps advisable to
focus on the writing rather than diving into a new discipline like MD,
which is a universe in itself.
Please give the tutorials a second chance. That is how most of us started:
Best of luck,
Ivan Gregoretti, PhD
On Thu, Mar 27, 2014 at 2:47 AM, Flora Chettiar <rheyaflora_at_gmail.com>wrote:
> Thank you so much for reverting back to my mail.
> The following are the things used:
> 1) Command used in cmd prompt after all the psf & wb files are generated
> (This is the second last step of simulation):
> C:\VMD>charmrun namd2 ++local +p 2
> proteinname_autopsf_wb_eq.conf>proteinname_autopsf_wb_eq.log &
> The above code gives error such as:
> charmrun: Error on socket recv
> or else some fatal error
> 2) The config file is attached in the file.
> 3) Found the tutorials very difficult to read.
> Please help me in solving this error as I need to complete my work within
> a day or two and need to submit my dissertation.
> Flora Chettiar.
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