Re: PME with Implicit solvent - Reg

From: Brian Radak (brian.radak_at_gmail.com)
Date: Mon May 20 2019 - 12:51:40 CDT

When in doubt, try it, although that's not to say that all combinations of
keyword options are recommendable from a scientific perspective.

Based on a quick read of the source code you should receive the very clear
exit message "GBIS not compatible with PME"

HTH,
BKR

On Mon, May 20, 2019 at 10:10 AM Mani Kandan <manikandand5110_at_gmail.com>
wrote:

> Hello all,
>
> Is PME compatible with implicit solvent? I want to apply
> the electrostatic interaction effect of water through implicit solvent
> method and in meanwhile, have to calculate the electrostatic interactions
> between other atoms through PME. Is this case possible?
>
> Kindly let me know.
>
> Regards
> MANIKANDAN D
>

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