zzhwise1 wrote: > about the second question,is that ,when i use the md as integrator,the > feedback show the atomnumber of gro was not the same as top which show 0 > atom? but when i use the l-bfgs as integrator, there was no wrong,and > goes smoothly! > and i never know why!
Neither will we know, unless you can do as I suggested last time - "You need to describe the problem fully, include contents of small files where appropriate, and quote the feedback you get from the gromacs tools." Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
