AMBER Archive (2004)

Subject: Re: AMBER: cannot load frcmod file properly

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Wed Nov 24 2004 - 12:28:02 CST

You should check the leap.log file. Xleap does not
complain that much.

Eric
--- Chunhu Tan <tanc_at_uci.edu> wrote:

> It's really strange, I can load you frcmod with no
> problem.
>
> ----- Original Message -----
> From: "Eric Hu" <yhu_2003_at_yahoo.com>
> To: <amber_at_scripps.edu>
> Sent: Tuesday, November 23, 2004 3:10 PM
> Subject: AMBER: cannot load frcmod file properly
>
>
> >> Hi, I try to perturb a ligand to nothing and
> define
> >> the new atom types as DH, DC, DN and DO. I have
> the
> >> following error when reading a frcmod file (with
> >> either Amber 7 or 8):
> >>
> >> > loadamberparams frcmod
> >> Loading parameters: frcmod
> >> Reading force field mod type file (frcmod)
> >> (UNKNOWN ATOM TYPE: DH)
> >> (UNKNOWN ATOM TYPE: DC)
> >> (UNKNOWN ATOM TYPE: DN)
> >> (UNKNOWN ATOM TYPE: DO)
> >>
> >> Here is my frcmod file:
> >>
> >> remark goes here
> >> MASS
> >> DH 1.0 0.0
> >> DC 12.0 0.0
> >> DN 14.0 0.0
> >> DO 18.0 0.0
> >>
> >> NONBON
> >> DH 0.0 0.0
> >> DC 0.0 0.0
> >> DN 0.0 0.0
> >> DO 0.0 0.0
> >>
> >> Thank you for help.
> >>
> >> Eric
> >>
> >>
> >>
> >> __________________________________
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> >>
> >>
> >>
> >
> >
> >
> > __________________________________
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> >
>
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