Please try Jason' solution in previous email to Jun Feng:"CHAMBER and CMAP
error using new c36 F"
Hai
On Tue, Apr 12, 2016 at 11:23 AM, Chitrak Gupta <chgupta.mix.wvu.edu> wrote:
> 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 - 09:30:03 PDT
