Re: *** GMX Spamverdacht *** [gmx-users] Constraining to fixed position

2007-10-12 Thread Martin Höfling
...ok i misunderstood the com_t0 option. I'll try to introduce a virtual particle without interactions, define a group on this and constrain the protein distance to the particle. Best Martin -- Ist Ihr Browser Vista-kompatibel? Jetzt die neuesten Browser-Versionen downloaden: http://www.gmx.ne

[gmx-users] Constraining to fixed position

2007-10-12 Thread Martin Höfling
Hi there, Maybe somebody has a hint what I did wrong there: I wanna constrain the com of a protein to a fixed position in the box (e.g. to com_t0)? I tried... runtype = constraint reference_group = Protein reftype = com_t0 pulldim = Y Y Y constraint_direction = 1.0 1.0 1.0 ngroups = 1 group_1 =