[gmx-users] Membrane Proteins & pdb2gmx

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu Dec 8 09:43:13 CET 2011


Hello Justin,

In your membrane protein simulation tutorial after making the topology, you
have mentioned that "Placing the new gromos53a6_lipid.ff directory in
$GMXLIB will allow you to use this force field system-wide." I suppose this
is valid only for the proteins (and not membranes) to be processed through
pdb2gmx using gromos53a6_lipid force-field, right? And to process a
membrane using pdb2gmx we need to change the aminoacids.rtp file with the
relevent POPC/DSPC/DPPC etc. entries. Right? Or can we somehow make pdb2gmx
use the POPC/DPPC/DSPC.itp file?


Thanks a lot.

Anirban
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