From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Nov 29 2016 - 01:36:48 CST
Well, the exact error is just:
Molecule DMPC undefined
This is because namd doesn’t follow linked *.itp files from your topology file. Please just copy the content of all required *.itp files into your *.top file and try again.
Best of luck
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von Subbarao Kanchi
Gesendet: Dienstag, 29. November 2016 07:31
Betreff: namd-l: Running gromacs in namd
Dear Michael Makowski,
I am trying to run gromacs simulation in namd and getting the error "USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Molecule DMPC undefined" I have seen your post in the mailing list "http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2014-2015/1129.html". Could you let me know that how did you overcome this problem to run gromacs simulation in namd.
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