<DIV>Hi all,</DIV>
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<DIV>I am working on free energy difference calculations of large systems. It is not feasible to perform TI or FEP, but there are some methods availabel like GB/SA. For this method I need to calculate the polarization free energy of a system with an impisit solvent technique. From the mailing lists I understood that this will be implemented in the next version. Is it already finished and available in the cvs code? </DIV>
<DIV>If so how do I find this small piece of code in the large amount of code thet comprises this program?</DIV>
<DIV> </DIV>
<DIV>Thanks in advance,</DIV>
<DIV>Maarten Wolf.</DIV><BR><BR>MvG Maarten<br><br>******************************************************<br>** Work Adress Julianalaan 136 ** <br>** 2628 BL Delft **<br>** Netherlands **<br>** +31(0)15-2789382 **<br>******************************************************<p>Send instant messages to your online friends http://uk.messenger.yahoo.com