[gmx-users] end capping

Shine A shine.a at iisertvm.ac.in
Sat Dec 7 14:11:52 CET 2013


        I am using MD to study the folding of peptides. Now I want to
modify N terminal of the peptide with acetyl group and C terminus with
amide group.How Can I do this? What are the changes I should made in
various files? Gromos96 53a6 is using for simulation.

                     Thank in advance

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