[gmx-users] Nterm acetyl cap

deepa rajamani deepsri at bu.edu
Fri Oct 14 04:00:28 CEST 2005


How do I take care of acetyl cap of Nterm in the MD simulation of protein 
in water. The ACE group is not recognized by GROMACS.

Do I have to manually make the topology and give the connecting bonds?


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