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Cesar Avila | 19 Apr 2012 18:52
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Forward and Backward calculation performed in the same simulation. Also the [...]

Commit from clavila 2012-04-19 18:52 CEST
Forward and Backward calculation performed in the same simulation. Also the posibility to export the results to a csv file is now available. At last but not least, it is posible to perform a preequilibration (or relaxation) of the system before starting the FEP. Module File name Revision
Adun Plugins/Controllers/MSFEP/MSFEP.h 1.6 >>> 1.7
Adun Plugins/Controllers/MSFEP/MSFEP.m 1.7 >>> 1.8


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    <table width="100%" class="csetheader"><tr>
<td align="left">Commit from clavila</td>
        <td align="right">2012-04-19 18:52 CEST</td>
      </tr></table>Forward and Backward calculation performed in the same simulation. Also the
posibility to export the results to a csv file is now available. At last but
not least, it is posible to perform a preequilibration (or relaxation) of the
system before starting the FEP.

    <table cellspacing="0" cellpadding="3" class="history">
<tr class="history">
        Module
        File name
        Revision
      </tr>
<tr class="itemM0">
<td class="itemact"></td>
        <td class="item">Adun</td>
        <td class="item">Plugins/Controllers/MSFEP/MSFEP.h</td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.h?rev=1.6&amp;content-type=text/vnd.viewcvs-markup">1.6</a></td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.h?r1=1.6&amp;r2=1.7">&gt;&gt;&gt;</a></td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.h?rev=1.7&amp;content-type=text/vnd.viewcvs-markup">1.7</a></td>
      </tr>
<tr class="itemM1">
<td class="itemact"></td>
        <td class="item">Adun</td>
        <td class="item">Plugins/Controllers/MSFEP/MSFEP.m</td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.m?rev=1.7&amp;content-type=text/vnd.viewcvs-markup">1.7</a></td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.m?r1=1.7&amp;r2=1.8">&gt;&gt;&gt;</a></td>
        <td class="itemrev"><a href="http://cvs.gna.org/viewcvs/adun/Adun/Plugins/Controllers/MSFEP/MSFEP.m?rev=1.8&amp;content-type=text/vnd.viewcvs-markup">1.8</a></td>
      </tr>
</table>
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