[gmx-users] Re: pdb2gmx error

shounakb baners4 at rpi.edu
Wed Jun 27 19:52:15 CEST 2012

Shima, I use gromacs-4.5.4. Without the FOR residue, my gmx.ff/aminoacids.rtp
file works fine for the sequence you originally specified. (pdb2gmx executes
without any errors)
I guess you added the FOR cap's topology yourself?

Justin, could this be an issue?


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