Dear all, I did a MD simulation (GROMACS 4.5 G53a6 force field) on protein-peptide complex for 5ns and got an interesting conformational change of T-loop.
However, when I rerun my script using the same input file in the same machine, I can not observe the same or similar conformational change. There is a significant difference between two independent run. What could I do for inconsistent MD simulation? Best Shiyong -- Shiyong Liu ------------------------------------------------------------------ Biomolecular Physics and Modeling Group, Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China Tel：86-27-87558335-805 ------------------------------------------------------------------ Chinese Version: ------------------------------------------------------------------ 刘士勇 华中科技大学物理学院 生物物理模建小组 湖北省武汉市洪山区珞瑜路1037号 邮编：430074 电话：86-27-87558335-805 ------------------------------------------------------------------- -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
