Dear Amber,
I want to do a simulation of a biomolecule in a mixed solvent of ethanol and water. Can anyone tell how do I go about this? From the previous amber mailing list I found that first I have to create an ethanol box and equilibrate it before solvating the biomolecule. I would appreciate if someone has done this already and provide the ethanol box library file. Also how do I prepare a system with a solvent of x% of ethanol + (1-x) % of water ?
Thanks for any directions in advance.
Regards,
Vasu.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 30 2010 - 03:30:03 PDT
