In the AmberTools manual (section 2.2.1), it says you can use the ff99SBildn and ff99SBnmr modifications along with ff10. It's rather vague on exactly how to do it, though, and my attempts so far have been unsuccessful. I hoped that if I just did "source leaprc.ff10" followed by "loadamberparams frcmod.ff99SBildn" that would have the right effect, but it didn't: the resulting prmtop was identical to what I get with ff10 alone. And I don't see how this could ever work. ff10 uses different atom types from either ff99 or ff99SBildn, so those files just can't be used together.
What am I missing? What is the correct way to combine those modfication sets with ff10?
Thanks!
Peter
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 04 2011 - 16:00:03 PDT
