Hi Every one I was doing my model refinment or say energy minimization of it by steep decent the congugate gradient options. Each time i run the command grompp the process stop either after completing steps number or from cutoff Fmax. I anm not able to understand the variable Fmax. What i read that it is force tolerence. But this not clear my dout. If u can explain me the term or suggest any reading material it will be very helpful
Another question can i use steep and cg in sequence i mean steep-cg-steep-cg like bye _____________________________________________________________ Get free e-mail at www.jkinstitute.org _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
