[gmx-users] implicit solvent in CVS

BIN ZHANG zhngbn at gmail.com
Mon May 24 02:04:54 CEST 2010


Dear all:

I know this question has been asked many times, but it's still  
tempting for me to ask it again ;-). Could any one suggest a mdp file,  
including the proper parameter setting, for implicit solvent  
simulation in gromacs? From all the clues I gathered (the roadmap, the  
source code), it seems to me that implicit solvent is already full  
supported, but just not officially released. I really want to see  
whether this could speed up my calculation dramatically, since it's  
not always true that implicit solvent simulation would run faster.

Thanks very much,
Bin





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