[gmx-users] problem still there for ACE

Albert mailmd2011 at gmail.com
Mon May 5 22:16:48 CEST 2014


On 05/05/2014 02:15 PM, Justin Lemkul wrote:
> CHARMM has unique nomenclature for amide H atoms, so H needs to be 
> renamed HN, though unfortunately that's also wrong in the .rtp file.  
> I'll fix that for the future. 

thanks a lot for helpful advices.

finally it works now.

best
Albert


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