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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Easiest way is to use the same one that someone has published, that is dealing with the same molecules and properties that you are interested in.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Each FF has been developed with particular properties and type of molecules in mind. So you need to ensure it will deal with the ones you are interested, or
do some work validating that it is actually appropriate.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Catch ya,<br>
<br>
Dr. Dallas Warren<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Medicinal Chemistry and Drug Action<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Monash Institute of Pharmaceutical Sciences</span><span style="font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D">, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
dallas.warren@monash.edu<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D">+61 3 9903 9304<br>
---------------------------------<br>
When the only tool you own is a hammer, every problem begins to resemble a nail.</span><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">
<o:p></o:p></span></p>
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<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org]
<b>On Behalf Of </b>Acoot Brett<br>
<b>Sent:</b> Thursday, 22 March 2012 1:27 PM<br>
<b>To:</b> Discussion list for GROMACS users<br>
<b>Subject:</b> [gmx-users] on gromacs force field<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black">Dear All,<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black"> <o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black">Will you please suggest on how to select force field for the specific requirement from the 18 force fields of the pdb2gmx of the gromacs 4.5.5 version?<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black"> <o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black">Cheers,<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black"> <o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black">Acoot <o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="color:black"> <o:p></o:p></span></p>
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