On 5/01/2011 7:55 PM, devawati dutta wrote:
Dear Sir,
Thanks for your prompt answer. In LIE method, if I will
not use the PME for coulombtype, then what is suitable for it? In
gromacs manual, there are several options under coulomb type.Which one
I will select for coulombtype and Vdwtype in .mdp file?
You should read about the LIE method and choose the GROMACS
electrostatics method that best suits your context and force field.
Mark
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