[gmx-users] em.mdp

juraina at um.edu.my juraina at um.edu.my
Wed Jul 14 11:03:13 CEST 2004

Hi everyone,

I am rather new to Gromacs and would appreciate any input
from anyone. 

I wanted to minimize my peptide first before going into md
simulation. Do I prepare only one mdp file that comprises
both em and md options, or do I prepare separate mdp files?
And if the former is applicable, do I indicate the integrator
only as md, while at the same time, having em options in the 
same file?

Any help would be greatly appreciated. Thank you.


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