[gmx-users] CHARMM-27 & CHARMM-36

Felipe Merino felmerino at uchile.cl
Thu May 24 23:04:49 CEST 2012

Sure, CHARMM 36 is just a modification to the lipids. The protein (and other sutff) parameters are untouched.




----Mensaje original---- De: shima_arasteh2001 at yahoo.com Fecha: 24-may-2012 12:41 Para: "Discussion list for GROMACS users"<gmx-users at gromacs.org> Asunto: [gmx-users] CHARMM-27 &amp; CHARMM-36 

Dear gmx users,

ACE is defined in CHARMM-27 .rtp file, but I don't see this residue in CHARMM-36 .rtp file . Is it OK, if I add the ACE from CHARMM-27 into CHARMM-36? And use the CHARMM-27 [ACE] parameters in CHARMM-36?
 Thanks in advance.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120524/b27c896a/attachment.html>

More information about the gromacs.org_gmx-users mailing list