AMBER Archive (2004)

Subject: AMBER: cannot load frcmod file properly

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Tue Nov 23 2004 - 17:10:17 CST

> 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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