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

Shima Arasteh shima_arasteh2001 at yahoo.com
Thu May 24 18:41:48 CEST 2012


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.

Sincerely,
Shima
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