Shuangxing Dai wrote:
Thanks for your answer. I changed the non-bond parameters in
ffgmxnb.itp. like
; ij func abc6
Zn O2 ... .
But error occured..
ERROR 1 [file ffgmxnb.itp, line 270]:
Trying to add Buck.ham (SR) while the default non
, February 18, 2009 11:39 AM
Subject: RE: [gmx-users] combination rules -- the part about the
combinationrules
Hi,
No pairtypes are for bonded pair interactions,
not for combinations of non-bonded interactions.
The manual tells you how to do this:
[ nonbond_params ]
A_ii A_jj 2 a b
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