[gmx-users] Re: Charge groups II

[Pedro Alexandre de Araujo Gomes Lapido Loureiro]

Dear David and Anton,

I am simulating a DPPC bilayer with PME. When I use charge groups, the program
halts due to LINCS violation. This problem was solved when I began to use
atom-based charges. 
Has anybody experienced similar problems?

Cheers, Pedro.
--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil