[gmx-users] NMR chemical shifts

jozef hritz hritz at tom.fos.su.se
Thu Aug 22 12:58:26 CEST 2002

In manual I read that for NMR chemical shifts is possible to use empirical
program total with gromacs interface program do_shift. 
But I can't find anything about do_shift (and place where total
should be installed)  nor in manual nor on gromacs web page.
Can You help me?

	Thank You very much

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