[gmx-users] energy minimisation step in protein lipid simulation

Balasubramanian Suriyanarayanan bsnsuri at gmail.com
Thu Jun 12 11:13:17 CEST 2014


Dear friends, In protein lipid simulation , when I do energy minimisation
ster I get an error as " Eeeeek! No confout.gro at all!

               Died at inflategro.pl line 104."

What is "confout.gro". If am right it is the output file that we get from
the minimisation step.

I used the command " perl inflategro.pl confout.gro 0.95 POPC 0
system_shrink1.gro 5 area_shrink1.dat".


Please help me.

regards,
Suriyanarayanan.


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