Dear Sir / Madam,
I am calculating NEB in explicit solvent for some large system. I am confused force constant about the atoms selected in NEB part. So my question is that NEB force constant is acting for different conformations or atoms of the different conformations in NEB selected. So what will be the suitable force constant as our system is large. Could you please reply me, it will be great help for me.
Have a nice day,
Thanks,
Maiti
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Received on Mon Nov 08 2010 - 11:30:02 PST
