Hi Flo, Thank you for reply. I got it. But as you see I also indicate the new names for output files. Do I get correct result in this kind of situation? Or I need to rerun it with "-noappend"
Sincerely yours, Hsin-Lin >Hi, > >check the standard options of mdrun with the help flag -h of version >4.5.4 and below. You will realize, that the standard append behaviour >changed from "no" to "yes". Hence if you start from a checkpoint and >files are already present in the working directory the integration >results will be appended. > >Flo -- 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
