Hi,
I use CHARMM 36 force fields in AMBER simulations on a regular basis, and
use the CHAMBER program to create input files for my simulations. This has
always worked for me until the CHARMM developers released an updated
version of the CHARMM 36 force fields, which is named
"toppar_c36_feb16.tgz" in the link below
http://mackerell.umaryland.edu/charmm_ff.shtml
When I use these files in CHAMBER, I get the following error:
Checking for flag: CMAP
Examining potential match: PSF
Examining potential match: CMAP
CMAP Found
Found 4 unique cmap types:
Type: 1 - 7 9 3 7 9 3 7 9
C NH1 CT1 C NH1 CT1 C NH1
Type: 2 - 7 9 3 7 9 3 7 17
C NH1 CT1 C NH1 CT1 C N
Type: 3 - 7 17 19 7 17 19 7 9
C N CP1 C N CP1 C NH1
Type: 4 - 7 9 13 7 9 13 7 9
C NH1 CT2 C NH1 CT2 C NH1
ERROR: CMAP reading terminated reading entry 12 / 576
Does anyone know how to fix this? I am using AMBER 14.
Regards,
Chitrak.
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Received on Tue Apr 12 2016 - 08:30:03 PDT
