AMBER Archive (2009)

Subject: [AMBER] GAFF and solvents.lib error

From: Vishal Maingi (maingipaws_at_yahoo.co.in)
Date: Wed Jun 10 2009 - 05:25:38 CDT

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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