[gmx-users] Query about use of coulombtype for LIE in gromacs
Mark.Abraham at anu.edu.au
Thu Jan 6 02:11:00 CET 2011
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.
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