ss aa wrote:
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
Please write in full sentences and check your spelling. If you want free
help, you should make it easy for people to read and understand you.
On point, you should be reading the GROMACS manual about energy
minimization.
Another question can i use steep and cg in sequence i mean steep-cg-steep-cg
like
Yes. Whether that does you any good is another matter.
Mark
_______________________________________________
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
