[gmx-users] Simulation of charged systems (2)

Felipe Pineda, PhD luis.pinedadecastro at lnu.se
Fri Nov 2 09:36:32 CET 2012


I recently sent a query, but it was probably not appealing enough to get 
some feedback. So I try again with a shorter one:

Is there any theoretical or technical objection against running an 
NPgammaT simulation on a charged (total charge = -36) membrane model 
(hydrated bipolar monolayer) using PME?

Many tanks in advance for your input.



| Luis Felipe Pineda De Castro, PhD |
| Computational Chemist - Postdoc   |
| Linnaeus University               |
| SE-391 82 Kalmar                  |
| Sweden - Sverige                  |

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