Huhu,
just to be sure that this is not an "issue of wrong perspective": did
you quantify the minimum distance between the complex and the box? How
big is it, if not 8 Angstrom?
Jan-Philip
On 11/08/2011 06:24 PM, Senthil Natesan wrote:
> 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 08 2011 - 10:30:02 PST
