Dear all,
I am working on the enzyme LTA4H, which has a catalytic Zn metal and a
Catalytic water. The Zinc is coordinated with His 295, His 299, Glu138, the
catalytic water.
I need *to generate the topology and coordinate files for the enzyme before
simulation.*
Help (scripts, commands and manual) will be greatly appreciated.
Kind regards
Patrick
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 09 2014 - 08:30:05 PDT
