Hi,
You are getting that error because there is no NHE residue in
all_aminoct02.lib, the library file for ff02 C-terminal residues.
These files are located in $AMBERHOME/dat/leap/lib if you want to see
which residues are available and which are not.
Best,
Paul
On Jul 13, 2010, at 7:49 AM, llduan.itcs.ecnu.edu.cn wrote:
>> Dear amber committee
>> I am using the ff02 polarizable force field, why I cannot load the
>> NHE
> residue? My leapin is following
>
> source leaprc.ff02pol.r1
>
> set default PBradii mbondi2
> pep = sequence {NSER TRP THR TRP GLU ASN GLY LYS TRP THR TRP LYS
> NHE }
> savepdb pep peptide_linear.pdb
> saveamberparmpol pep pep.top pep.crd
> quit
>
>
> but the error is :sequence: Illegal UNIT named: NHE
>
>
> _______________________________________________
> 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
Received on Tue Jul 13 2010 - 08:00:04 PDT
