For what it's worth, I as a semi-layman don't know exactly what you are talking about, which may overlap with why your question hasn't been answered.
Bill
> I am wondering how to declare "COMREC", "COMLIG", "RECRES", "{COM,REC,LIG}PRI" and "{REC,LIG}MAP"
On 4/14/17 10:02 PM, nagakumarb.ccamp.res.in wrote:
> Hello,
>
> This is regarding my earlier residual decomposition related question... as
> i haven't get any solution to this issue, i assume this problem is
> technical challenge and not possible to solve. I will still wait for
> responses if someone already dealt such problems.
>
> Regards,
> Kumar
>
> -----------------------------
>> Hello,
>>
>> Can someone help me to solve this residual decomposition problem... I have
>> posted few days back and waiting for help. I am attaching my earlier
>> message here.
>>
>> Thanks in advance.
>>
>> Regards,
>> Kumar
>> -------------------------
>> Hello,
>>
>>
>> I am working on a system (around 240 residues) in which ligand covalently
>> bound to a cysteine residue. This cysteine residue is in middle of the
>> protein structure (residue 208). I have created new residue (Cys +
>> covalent
>> ligand) using xleap and i completed the simulation successfully.
>> Everything looks normal for visual and initial analyses.
>>
>>
>> Now i am trying to do residual decomposition for this simulation where i
>> am facing some issues.
>>
>>
>> Can someone help me to generate "extract-coord.in" and "reswise.in" files
>> for this case?
>>
>>
>> I am wondering how to declare "COMREC", "COMLIG", "RECRES",
>> "{COM,REC,LIG}PRI" and "{REC,LIG}MAP"
>>
>>
>> Please help me this regard and let me know if you need any further
>> information to solve this puzzle.
>>
>>
>> Regards,
>>
>> Kumar
>>
>
>
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Received on Fri Apr 14 2017 - 22:30:03 PDT
