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3 votes
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CHARMM36 Parameters for Neutral Arginine

A quick search of the toppar folder in CHARMM shows that there are three patches that are available to create neutral arginine from the charged arginine. This is the sample input ...
Hemanth Haridas's user avatar
2 votes
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My CHARMM IC table generation has caused hydrogen to bond to two carbons. How do I fix this?

I was able to build the structure correctly using the following input file ...
Hemanth Haridas's user avatar

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