subject:"\[gmx\-users\] terminal_fixing"

Re: [gmx-users] terminal_fixing

2011-06-30 Thread Justin A. Lemkul

balaji nagarajan wrote: 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+ 1: ZWITTERION_NH3+ 2: NH2 3: None then if i give option 1 it chooses ZWITTERION

[gmx-users] terminal_fixing

2011-06-30 Thread balaji nagarajan

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+ 1: ZWITTERION_NH3+ 2: NH2 3: None then if i give option 1 it chooses ZWITTERION_NH3+ , i want to make the