[gmx-users] K ion

taveechai taveecharoenkool taweehui at yahoo.com
Wed Jan 18 15:47:54 CET 2006

Dear all,
 I want to study the effect of K ion on a protein. I
add this line in ions.itp 
 [ moleculetype ]
; molname	nrexcl
K+		1
[ atoms ]
; id	at type res nr	residu name	at name  cg nr  charge
1	K+	1	K+		K	1	1	 39.0983  
it seems ok, i can run (mdrun) without error. The
thing in my mind is that is it enough (to edit only
one file) cos it seems like K+ doesn't contain
positive charge when i used g_saltbr? i use Gromos96
Thanks in advance

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