To the GMX developers. Hi! I am attempting to perform distance restrained energy minimization and I have a specific doubt regarding the "define" parameter in em.mdp. To specify distance restraints I include disre= simple in the em.mdp file. Do I need to specify some thing like "define = -DDISRES"? I have not seen some thing like this in the gromacs manual but I was going thro the GMX discussion list and seen some folks define distance restraints as "define = -DDISRES". I am under the impression that by specifying disre=simple I automatically turn on distance restraints. Also I saw one person had "gen_vel=yes" in em.mdp is this option possible . Thanks Jayant
-- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp) Residence -24935864, cell-9841042164
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