Please do not try to duplicate your email and see the reply from Jason in
another post.
Hai
On Tue, Apr 12, 2016 at 10:22 AM, 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?
> Thanks!
>
>
>
> --
> Jun Feng
> Postdoc Fellow
> Blake Mertz Research Group
> Department of Chemistry
> West Virginia University
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>
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Received on Tue Apr 12 2016 - 08:00:03 PDT
