[gmx-users] Re: Charge groups II

Pedro Alexandre de Araujo Gomes Lapido Loureiro paloureiro at biof.ufrj.br
Thu May 16 16:01:43 CEST 2002

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

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