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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Hi Shima,<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">It would be number 17, but as you can see on the prefix, its deprecated (in other words outdated) and should not be used anymore (unless you really have to
for some reason). Why not try a more modern force field?<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">Cheers,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Felix<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"><b><span lang="DE" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">Von:</span></b><span lang="DE" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org]
<b>Im Auftrag von </b>Shima Arasteh<br>
<b>Gesendet:</b> Donnerstag, 12. April 2012 17:09<br>
<b>An:</b> Discussion list for GROMACS users<br>
<b>Betreff:</b> [gmx-users] Gromos87<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black">Dear friends,<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black">I'd like to use gormos87 force field in my simulation. Which force field am I supposed to select?<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black"> 1: AMBER03 protein, nucleic AMBER94 (Duan et al., J. Comp. Chem. 24, 1999-2012, 2003)<br>
2: AMBER94 force field (Cornell et al., JACS 117, 5179-5197, 1995)<br>
3: AMBER96 protein, nucleic AMBER94 (Kollman et al., Acc. Chem. Res. 29, 461-469, 1996)<br>
4: AMBER99 protein, nucleic AMBER94 (Wang et al., J. Comp. Chem. 21, 1049-1074, 2000)<br>
5: AMBER99SB protein, nucleic AMBER94 (Hornak et al., Proteins 65, 712-725, 2006)<br>
6: AMBER99SB-ILDN protein, nucleic AMBER94 (Lindorff-Larsen et al., Proteins 78, 1950-58, 2010)<br>
7: AMBERGS force field (Garcia & Sanbonmatsu, PNAS 99, 2782-2787, 2002)<br>
8: CHARMM27 all-atom force field (with CMAP) - version 2.0<br>
9: GROMOS96 43a1 force field<br>
10: GROMOS96 43a2 force field (improved alkane dihedrals)<br>
11: GROMOS96 45a3 force field (Schuler JCC 2001 22 1205)<br>
12: GROMOS96 53a5 force field (JCC 2004 vol 25 pag 1656)<br>
13: GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656)<br>
14: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals)<br>
15: [DEPRECATED] Encad all-atom force field, using full solvent charges<br>
16: [DEPRECATED] Encad all-atom force field, using scaled-down vacuum charges<br>
17: [DEPRECATED] Gromacs force field (see manual)<br>
18: [DEPRECATED] Gromacs force field with hydrogens for NMR<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black">Thanks in advance,<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-family:"Arial","sans-serif";color:black">Shima<o:p></o:p></span></p>
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