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
