Hi,
what you send looks ok, but what about your lib or mol2 file that actually
defines the residue CUA as containing one atom of CU? Maybe you could post
your leap.in file to make it clearer where problems may be...
Thomas
On Fri, June 15, 2012 3:05 pm, sudipta wrote:
> Hi Thomas,
>
> I have checked the name of CU atoms in .pdb and .frcmod files. The name of
> CU atom in both files are same. The files are attached here. Please have a
> look on those if there is any wrong. By the way, I use AMBER9.
>
> regards
> Sudipta
>
>
> On Fri, Jun 15, 2012 at 12:10 AM, <steinbrt.rci.rutgers.edu> wrote:
>
>> Hi,
>>
>> >> saveamberparm 1PLC 1PLC.prmtop 1PLC.inpcrd
>> > Checking Unit.
>> > FATAL: Atom .R<CUA 100>.A<CU 1> does not have a type.
>> > Failed to generate parameters
>> > Parameter file was not saved.
>>
>> This is most likely a naming issue. Check that the parameter file you
>> made
>> for copper is loaded and that it has the same residue and atom name as
>> in
>> the pdb you want to load.
>>
>> Kind Regards,
>>
>> Thomas
>>
>> Dr. Thomas Steinbrecher
>> formerly at the
>> BioMaps Institute
>> Rutgers University
>> 610 Taylor Rd.
>> Piscataway, NJ 08854
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 17 2012 - 08:00:03 PDT
