[gmx-users] Re: Dear Chaban lincs warning
Dr. Vitaly V. Chaban
vvchaban at gmail.com
Mon Oct 31 13:03:50 CET 2011
You should provide topology file, I do NOT need your MDP files.
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA
2011/10/31 ahmet yıldırım <ahmedo047 at gmail.com>:
> Dear Dr. Chaban,
> Firstly, thanks for your reply. I send you the input files that I used.
> Please look at attached files. By the way, I am using Gromacs 4.5.3
> 30 Ekim 2011 02:53 tarihinde Dr. Vitaly V. Chaban <vvchaban at gmail.com>
>> 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
>> THE UNITED STATES OF AMERICA
>> 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
>> > --
>> > Dr.Ahmet YILDIRIM
> Ahmet YILDIRIM
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