[gmx-users] Re: Dear Chaban lincs warning

Dr. Vitaly V. Chaban vvchaban at gmail.com
Sun Oct 30 01:53:58 CEST 2011

Hello Ahmet:

The warnings originating from the LINCS algorithm are dee to either
incorrect topology (TOP file) of certain particle or bad initial
configuration (GRO file).

If you don't provide this information about your problematic system,
there is no chance to help you.

Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216

2011/10/29 ahmet yıldırım <ahmedo047 at gmail.com>:
> Dear Dr. Chaban,
> I am studying on protein modelling using Gromacs software for 1-2 years. I
> have lincs warning error. I obtained the error "lincs warning" after "mdrun
> -deffnm protein-RUN" (finally step). I could not figure out this problem for
> weeks :-(((
> If can you help me I will be very very happy? :-(
> Sincerely yours
> Department of Physics, Siirt University, Siirt, Turkey
> --

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