<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><span>Can I use CHARMM-GUI to get the formyl parameters for CHARMM36 and CHARMM27?</span></div><div><br><span></span></div><div><span>Cheers,</span></div><div><span>Shima<br></span></div><div><br></div> <div style="font-family: arial, helvetica, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Justin A. Lemkul <jalemkul@vt.edu><br> <b><span style="font-weight: bold;">To:</span></b> Shima Arasteh <shima_arasteh2001@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Saturday, May 5, 2012 5:58 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re:
[gmx-users] Topology parameters<br> </font> </div> <br>
<br><br>On 5/5/12 9:21 AM, Shima Arasteh wrote:<br>> Dear gmx users,<br>> <br>> I need to define a new residue topology ( Formyl ) in CHARMM27 force field. I<br>> have the formyl parameters for GROMOS. I'd like to know if the residue<br>> parameters are the same in different force fields?<br>> <br><br>Almost certainly not. Each force field has different parameterization procedures and makes use of different atom types. A new force field requires a new topology.<br><br>-Justin<br><br>-- ========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]<a target="_blank" href="http://vt.edu">vt.edu</a> | (540) 231-9080<br>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br><br>========================================<br><br><br> </div> </div> </div></body></html>