VMD-L Mailing List
From: SHIVAM TIWARI (t.shivam_at_iitg.ac.in)
Date: Wed Dec 30 2020 - 01:15:40 CST
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- In reply to: Smith, Harper E.: "CHARMM parameters for ADP-ribosylated arginine?"
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You can use CHARMM-GUI also to search charmm library for your molecule, it can also show u a similar molecule available in charmm library, if at all it is available.
regards
shivam
________________________________
From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of Smith, Harper E. <smith.12510_at_buckeyemail.osu.edu>
Sent: Wednesday, December 30, 2020 3:33 AM
To: VMD Mailing List <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: CHARMM parameters for ADP-ribosylated arginine?
Hi mailing list,
Is there a way I could parameterize ADP-ribosylated arginine (preferably in CHARMM)? I have seen tutorials for parameterizing ligands, but this is more complicated since it will be a modification to a standard residue, right?
Could I get away with trying to combine ADP and arginine parameters by analogy? Any advice is appreciated!
Best,
Harper Smith
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- In reply to: Smith, Harper E.: "CHARMM parameters for ADP-ribosylated arginine?"
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