AMBER Archive (2006)

Subject: Re: AMBER: Interaction Energy Calculation

From: Vitor Manuel Sousa F?x (vfelix_at_dq.ua.pt)
Date: Thu Nov 02 2006 - 16:08:01 CST

Varsha
MM-PBSA or thermodynamic integration methods. The M-PBSA
methods are particularly appropriate for simulations in
water.
all the best
Vitor

You can use MM-PBSA methods or Thermodinamic
Em Thu, 2 Nov 2006 16:34:28 -0500 (EST)
  Varsha Goyal <vgusp_at_yahoo.ca> escreveu:
> Hello everyone,
> I wanted to get some suggestions about "calculating
> interaction energy between ligand and receptor" using
> AMBER8.0. Can it be done using ptraj?? otherwise which
> is the best way to do this.
>
> Thanks in advance,
> Varsha
>
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*****************************
Prof. Vitor Felix
Department of Chemistry
University of Aveiro
3810-193 Aveiro
Portugal
Tel: 351 234 370 729
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