[gmx-users] Force tolarence

ss aa agar.sam1 at jkinstitute.org
Wed Nov 7 09:45:33 CET 2007

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

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