Re: [AMBER] Format error in frcmod file of HEME

From: Marcos Serrou do Amaral <marcossamaral.gmail.com>
Date: Fri, 14 Apr 2017 12:50:57 -0400

Hi AT,

You should try to create a new HEME.frcmod file. But, add one line and try
to use leap again.

---
Marcos S.A.
On Fri, Apr 14, 2017 at 12:42 PM, Thakur, Abhishek <axt651.miami.edu> wrote:
> Hi
>
> I am trying to use HEME amber parameters but it is giving me format error
>
>
>
> > loadamberparams HEME.frcmod
> Loading parameters: ./HEME.frcmod
> Reading force field modification type file (frcmod)
> Reading title:
> MASS
> Unknown keyword: NP 14.01
>  in parameter file. Perhaps a format error?
> Unknown keyword: NO 14.01
>  in parameter file. Perhaps a format error?
> Unknown keyword: CY 12.0
>  in parameter file. Perhaps a format error?
> Unknown keyword: CX 12.0
>  in parameter file. Perhaps a format error?
> Unknown keyword: CD 12.0
>  in parameter file. Perhaps a format error?
> Unknown keyword: FE 55.85
>  in parameter file. Perhaps a format error?
> Unknown keyword: LC 12.01
>  in parameter file. Perhaps a format error?
> Unknown keyword: LO 16.00
>  in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> Unknown keyword: NB-FE-NO?  in parameter file. Perhaps a format error?
> Unknown keyword: NB-FE-LC ? in parameter file. Perhaps a format error?
> Unknown keyword: NB-FE-LO ? in parameter file. Perhaps a format error?
> Unknown keyword: NP-FE-NP ? in parameter file. Perhaps a format error?
> Unknown keyword: NO-FE-NO ? in parameter file. Perhaps a format error?
> Unknown keyword: NO-FE-NP?  in parameter file. Perhaps a format error?
> Unknown keyword: NO-FE-LC?  in parameter file. Perhaps a format error?
> Unknown keyword: NO-FE-LO?  in parameter file. Perhaps a format error?
> Unknown keyword: NP-FE-LC?  in parameter file. Perhaps a format error?
> Unknown keyword: NP-FE-LO?  in parameter file. Perhaps a format error?
> Unknown keyword: FE-NP-CC?  in parameter file. Perhaps a format error?
> Unknown keyword: FE-NO-CC?  in parameter file. Perhaps a format error?
> Unknown keyword: NO-CC-CB?  in parameter file. Perhaps a format error?
> Unknown keyword: NP-CC-CB?  in parameter file. Perhaps a format error?
> Unknown keyword: NO-CC-CD?  in parameter file. Perhaps a format error?
> Unknown keyword: NP-CC-CD?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-NP-CC?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-NO-CC?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-CB-CB?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-CD-CC?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CC-CD?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-CB-CT?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CB-CT?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-CD-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: CR-NB-FE ? in parameter file. Perhaps a format error?
> Unknown keyword: CV-NB-FE ? in parameter file. Perhaps a format error?
> Unknown keyword: CB-CT-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CB-CY?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CY-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CY-CX?  in parameter file. Perhaps a format error?
> Unknown keyword: CY-CX-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: CC-CB-CY?  in parameter file. Perhaps a format error?
> Unknown keyword: CX-CY-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: CB-CT-CT?  in parameter file. Perhaps a format error?
> Unknown keyword: HC-CX-HC?  in parameter file. Perhaps a format error?
> Unknown keyword: FE-LC-LO?  in parameter file. Perhaps a format error?
> Unknown keyword: FE-LO-LO?  in parameter file. Perhaps a format error?
> Unknown keyword: LP-SH-LP ? in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> Unknown keyword: X -X -CB-X in parameter file. Perhaps a format error?
> Unknown keyword: X -X -NP-X in parameter file. Perhaps a format error?
> Unknown keyword: X -X -NO-X in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> Unknown keyword:
>  in parameter file. Perhaps a format error?
> !FATAL ERROR----------------------------------------
> !FATAL:    In file [varArray.c], line 106
> !FATAL:    Message:  PVarArrayIndex: VARARRAY is NULL!
> !ABORTING.
>
>
>
>
> I am attaching the file, if anyone can help me in correcting the format.
>
>
>
>
> with regards,
>
> -AT
>
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Received on Fri Apr 14 2017 - 10:00:03 PDT