Yes, I know in ff02pol there is not NHE residue, but I want to know how to
deal with the NHE residue in ff02pol?
Thank you
> 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
>>
>>
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>
>
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Received on Wed Jul 14 2010 - 00:30:03 PDT
