[gmx-users] Membrane protein simulation: maintain protein in the box centre
anna.duncan at mrc-mbu.cam.ac.uk
Fri Jan 6 19:25:51 CET 2012
I'm really sorry, please ignore my last post. I realised after I
posted it that my British way of spelling 'centre' might have been
preventing me from finding many previous posts on the topic. Indeed,
when I searched a bit it became apparent to me that all I need to do
is use g_trjconv with -center AND -pbc mol on my trajectory (I had
tried using just -center before but this hadn't come to much of
course). This works beautifully.
Very sorry for any inconvenience caused.
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