Dear Amber users,
I had tried run the simulations described in the tutorial A.15 (A room
temperature ionic liquid) with amber9 and change the ionic liquid used in
this tutorial by omin pf6. However, the minimization step do not produce
any min.out at all when I use those commands and it does when I change
ntb=1 for ntb=0 and igb=6. Does anyone have any idea how I can use boundary
conditions with the ionic liquid?
the min.in of the tiutorial is:
&cntrl
imin=1, ntpr=100, ntwx=100, maxcyc=10000,
ntb=1,
&end
Best regards.
Prof. Dr. Moacyr Comar Junior
Universidade Federal de São João del Rei
Campus Centro-Oeste
Divinópolis - MG
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Received on Mon Aug 12 2013 - 07:00:03 PDT
