AMBER Archive (2004)

Subject: Re: AMBER: cannot load frcmod file properly

From: Chunhu Tan (tanc_at_uci.edu)
Date: Wed Nov 24 2004 - 14:37:46 CST

It's doesn't matter, I think. What important is saveamberparmpert
successfully, without any complain, especially on bonds, angles,
dihedrals.

Chunhu
----- Original Message -----
From: "Eric Hu" <yhu_2003_at_yahoo.com>
To: <amber_at_scripps.edu>
Sent: Wednesday, November 24, 2004 10:28 AM
Subject: Re: AMBER: cannot load frcmod file properly

> 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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