[gmx-users] position restrained minimization on the one part of a system
atila.petrosian at gmail.com
Wed Oct 26 16:08:19 CEST 2011
thanks for your attention
I deleted posre.itp file which pdb2gmx was created (containing all solute).I
made a posre.itp (containing only protein) by genrestr.
now if I use define = -DPOSRES, gromacs use from my posre.itp. is it true?
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