[gmx-users] fatal error trying to simulate glycosylated proteins

David Newman david.newman-4 at postgrad.manchester.ac.uk
Mon Feb 15 02:20:03 CET 2016


I'm trying to simulate the dynamics of glycosylated proteins using gromacs 4.6.5 and have acquired forcefield parameters from PTM-Vienna (ffG45a3(v1.6) and ffG54a7(v1.7)) and CHARMM-GUI (36-jun2015) that supposedly allow for analysis of PTMs but both result in a fatal error when trying to run pdb2gmx -failing to recognise the identifier NAG - is there an alternative identifier I can use?



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