Hello,
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.
Anna
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
