AMBER Archive (2005)

Subject: AMBER: rotating and repositioning molecules in xleap

From: Hwankyu Lee (leehk_at_umich.edu)
Date: Sat May 21 2005 - 01:09:45 CDT


Dear Amber-users,

1) I'm connecting two molecules in xleap, and want to position those
molecules with specific configuration. I thought I can do that in edit
of xleap, but cannot find how to do this. Could you tell me how to
rotate and reposition molecules in xleap ? Is it possible in edit
(visual tool) of xleap?

2) Although I had .frcmod file by using parmchk, when I connected two
molecules, I got an error like "could not find angle parameter" or
"Could not find bond~~". In that case, how can I get reasonable angle,
bond or torsion parameters?

Thanks for your help in advance.

best,
Hwankyu.

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