Date: Tue, 8 Nov 2011 09:24:50 -0800 (PST)
Dear Amber Users, Greetings. I am trying to solvateOCT a protein-ligand complex, but the minimum distance between the complex and the solvent box edge seems to be not holding at the expected level (8 A) The protein-ligand complex is almost touching the box edge (pls see the attached image) though I get the proper solvation with solvateBox. The command used is solvateOct complex TIP3PBOX 8.0 I am not sure what is wrong ? your suggestions/comments will be appreciated. thanks, Senthil Natesan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
(image/png attachment: solvated_complex.png)
