Hi,
I use the most recent CHARMM force field downloaded from Dr. Mackerell's
website named toppar_c36_feb16.tgz (a modified C36 protein parameter set)
to generate psf. I tried to use CHAMBER to convert to AMBER format prmtop.
But I get the following error message from CHAMBER:
CMAP Found
Found 4 unique cmap types:
Type: 1 - 16 36 19 16 36 19 16 36
C NH1 CT1 C NH1 CT1 C NH1
Type: 2 - 16 36 20 16 36 20 16 36
C NH1 CT2 C NH1 CT2 C NH1
Type: 3 - 16 36 19 16 36 19 16 33
C NH1 CT1 C NH1 CT1 C N
Type: 4 - 16 33 27 16 33 27 16 36
C N CP1 C N CP1 C NH1
ERROR: CMAP reading terminated reading entry 19 / 576
This might be incompatibility between the new c36 force field with modified
CMAP and CHAMBER. Can the CHAMBER developers provide some help to this
issue?
Thanks!
--
Jun Feng
Postdoc Fellow
Blake Mertz Research Group
Department of Chemistry
West Virginia University
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Received on Mon Apr 11 2016 - 10:30:04 PDT
