Hai !
I would like to generate the new solvent box type .
I have gone through the mail list and they suggested packmol .
So I have tried packmol and filled the solvent of my choice to the defined
box size .
I have a initial protein conformation , but every time I would like to
change the conformation
and if i try the same box size and number of molecules it is not the same .
Can any none tell me how to slove this . That is like TIP3PBOX ,
how one can load the box type of the desired solvent in the amber library
.is it possible ?
thanks in advance
lara
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Received on Thu Oct 14 2010 - 23:30:02 PDT
