[gmx-users] Re: Charge groups II

[David van der Spoel]

On Thu, 16 May 2002, Pedro Alexandre de Araujo Gomes Lapido Loureiro wrote:

>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?
this seems unrelated. Supply more details to the list.


Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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