Dear users, I apologize for asking the same question. but I wanted a clarification regarding this
I had done a simulation for 100ns which had minimum image violation after 27ns. I have asked this question several times and people have suggested me not to use the results. But I just wanted to know if I use the frames upto 26ns and do an analysis will it be wrong? and if I report that this minimum image violation had occurred. Correct me if I am wrong. This minimum image violation occurs only if the box size is inadequate. is it right? In the present simulation I had made sure that cut off (1.4nm) was much less than the periodic image distance 2.0nm. I may just ignore this data and do another simulation, But I wanted to know this aspect. Kindly suggest. Thank you With Regards M. Kavyashree
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
