[gmx-users] Membrane protein simulation: maintain protein in the box centre

Anna Duncan 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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