[gmx-users] Re: Dear Chaban lincs warning

2011-10-31 Thread Dr. Vitaly V. Chaban
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 : > Dear Dr. Chaban, > > Firstly, thanks for your reply. I send you th

[gmx-users] Re: Dear Chaban lincs warning

2011-10-31 Thread Dr. Vitaly V. Chaban
ahmet yıldırım: If you want a personal mentoria, you will need to pay for it first. If you strive to get a FREE help, all correspondence should be kept in the mailing list to save up an archive for other gromacs users. Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept. Univ. Rochester, Rochest

[gmx-users] Re: Dear Chaban lincs warning

2011-10-31 Thread Dr. Vitaly V. Chaban
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. Chaba