[gmx-users] Constraints

Tanos C. C. França tccf at epq.ime.eb.br
Wed Dec 18 11:09:22 CET 2002

	Hi all again,
	How should I do to perform a minimization with constraints ? Is it enough
just typing what I wanna constraint in the "constraint" option in the
"em.mdp" file  ? If so, are the options like in other packages (hydrogens,
side chain, backbone, heavy atoms, etc ...) ? Or should I type something
different ?
	Another question I have is how to perform in GROMACS a energy minimization
in vacuo with a distance dependent dielectric constant of water (78,54) and
1 - 4 interactions scaled by a factor of 0,5 .  Is that possible ?
	Thanks in advance.

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