Dear ALL,
I used GAFF. as it doesnot has water or other solvents like other ff I loadoff solvents.lib along with GAFF.
then I used solvateoct option to solvate my molecule
but following message was obtained showing mass could not be found
is this error
Volume: 150199.244 A^3 (oct)
Mass > 1285.284 amu, Density > 0.014 g/cc
(type - hence mass - of one or more atoms could not be found)
Added 4341 residue
I can see my molecule being solvated even though I got above message.
also one more thing when I saveamberparm for solvated molecule it is showing message of
could not detect OW
could not detect HW
parameter file not saved
What other files should I load
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Received on Mon Jul 06 2009 - 08:33:17 PDT
