[AMBER] relaxation in t/xleap

From: newamber list <newamberlist.gmail.com>
Date: Wed, 24 Jun 2015 23:33:51 +0100

Hi All

I get some errors relieved when I do edit--> relaxation in xleap. I select
some specific residues. Is there something similar possible with mdin

 Energy minimization with mdin files does not help me much as I think
minimization does not lead to geometry optimization. Sorry if I have used
terms wrongly.

Thanks for any help.
AMBER mailing list
Received on Wed Jun 24 2015 - 16:00:02 PDT
Custom Search