[gmx-users] terminal_fixing

balaji nagarajan balaji_sethu at hotmail.com
Fri Jul 1 03:00:34 CEST 2011

Dear Users ! 

i have tried in generating the -ter option in generating the topology file ! 

it asks the below if i give the ter option , 

Select start terminus type for TYR-1
 0: NH3+
 2: NH2
 3: None

then if  i give option 1 it chooses  ZWITTERION_NH3+ , i want to make the charge state of the protein as  ZWITTERION , in terminal how to do it in command mode 

thanks in advance 

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