<p style="background-color:white;margin-left:0cm;font:normal normal normal 14px/normal arial,sans-serif;color:rgb(34,34,34)" class="MsoNormal"><span style="FONT-FAMILY:Symbol;COLOR:rgb(79,107,114);FONT-SIZE:10pt" lang="EN-US"><span style="FONT:7pt 'Times New Roman'"> </span></span><span style="FONT-SIZE:12pt" lang="EN-US">Dear gromacs developers:</span></p>
<p style="background-color:white;margin-left:0cm;font:normal normal normal 14px/normal arial,sans-serif;color:rgb(34,34,34)" class="MsoNormal"><span style="FONT-SIZE:12pt" lang="EN-US">I would like to
simulate a reaction with 50 explicit water molecules with QM/MM (orca/gmx), and
then add a implicit solvent model around this cluster (reaction center + 50
waters). But when I search the gromacs mailing list and gromacs manual, I get
this “<span style="COLOR:blue">With the release of GROMACS version 4.5, it is
possible to conduct simulations using implicit solvent models;…….</span>” I was
wondering is there any possibility to perform QM/MM calculation (orca/gmx) along
with implicit solvent model?</span><span style="COLOR:rgb(79,107,114);FONT-SIZE:12pt" lang="EN-US"></span></p>
<div><span style="font:normal normal normal 14px/normal arial,sans-serif;color:rgb(34,34,34)" lang="EN-US">Thanks in advance. </span></div>
<div><span style="font:normal normal normal 14px/normal arial,sans-serif;color:rgb(34,34,34)" lang="EN-US"></span> </div>
<div><span style="font:normal normal normal 14px/normal arial,sans-serif;color:rgb(34,34,34)" lang="EN-US">Yan Li</span></div>