[gmx-users] Force tolarence
Mark.Abraham at anu.edu.au
Wed Nov 7 13:11:31 CET 2007
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
> 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.
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