[gmx-users] Force field for phosphoserine

ashish bihani ashish.bihani at outlook.com
Thu Oct 2 14:45:21 CEST 2014

Hello everyone,Has anyone subjected a polypeptide containing a phosphoserine residue to :~$ pdb pdb2gmx ? The program does not recognize serine as it has a phosphorus atom attached to it which is not present in the definition. I am trying to define phosphoserine as a residue (let's say PSER). Can anyone tell me what all files do I need to edit (what kind of data do I need to look for, to be more specific) in order to make the program recognize this new residue ?Thanks in advance for help.Regards,Ashish Bihani 		 	   		  

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