On 24/01/2012 3:47 PM, priya thiyagarajan wrote:
hello sir,
Thanks for your kind reply..
15 boxtype accomodates 105046 solvent molecules..
Hence why adding a maximum of 50000 solvent molecules left lots of empty
space.
but i need to run simulation by keeping number of water molecules
constant and changing number of protein molecules..
You can't do that and keep density normal and box size constant.
Mark
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