[gmx-users] Re: Charge groups II

David van der Spoel spoel at xray.bmc.uu.se
Thu May 16 21:32:14 CEST 2002

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

More information about the gromacs.org_gmx-users mailing list