> On Apr 11, 2016, at 1:18 PM, Jun Feng <jufeng.mail.wvu.edu> wrote:
>
> 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?
The chamber program has been deprecated and removed from current versions of Amber. Try using the chamber action in ParmEd instead.
Just make sure you get the latest version of AmberTools (15 currently) before trying it.
You can find more details in the Amber 15 manual.
You can also prepare your system in CHARMM-GUI, which will use ParmEd internally to create the appropriate Amber files for you.
I know ParmEd has been used a decent amount with CHARMM 36, so unless your files are corrupted somehow, it should work.
HTH,
Jason
> Thanks!
>
>
> --
> Jun Feng
> Postdoc Fellow
> Blake Mertz Research Group
> Department of Chemistry
> West Virginia University
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Received on Tue Apr 12 2016 - 07:30:06 PDT
