AMBER Archive (2006)

Subject: Re: AMBER: building a box

From: kepa koldo burusco (kepaquestions_at_yahoo.es)
Date: Wed Nov 08 2006 - 06:08:32 CST

[8-XI-2006]

Thank you very much for your help, Fenghui, but I am
afraid your tip is not exactly what we are looking
for. In fact, we are not really interested in
surrounding our molecule with lots of water molecules,
but with lots of molecules of the same type as the
main molecule.

Any help?

Thank you in advance.

Kepa K.

 --- Fenghui Fan <fenghui_fan_at_yahoo.com> escribió:

> Please pay attention to that:
>
> solvateoct model2 TIP3PBOX 8.0
>
> You should mention TIP3PBOX 8.0 because that is the
> water and the dimension you add it.
>
> Best regards.
>
> Fenghui Fan
>

                
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