Re: [gmx-users] genion causing atom to be in multiple T-Coupling groups

2006-09-11 Thread Mark Abraham
> Dear Users, > > I'm hoping for an answear on my problem with neutralizing my system adding > 3 Cl ions with genion. When > running grompp after genion with the new generated .gro file I get this error: > > Fatal error: Atom 33000 in multiple T-Coupling groups (15 and 1) Read closely - "T-Coupli

Re: [gmx-users] genion causing atom to be in multiple T-Coupling groups

2006-09-11 Thread David van der Spoel
Una Bjarnadottir wrote: Dear Users, I'm hoping for an answear on my problem with neutralizing my system adding 3 Cl ions with genion. When running grompp after genion with the new generated .gro file I get this error: Fatal error: Atom 33000 in multiple T-Coupling groups (15 and 1) which i