
all: compare


newmd:
	grompp_d -v -f md_vide -o md_vide -c after_em_vide -p bpti
	mdrun_d -v -s md_vide -e md_vide -o md_vide -c after_md_vide -g flog

tot_old.xvg:
	echo -e "10\n0\n" \
	| g_energy_d -f ../md_vide -o tot_old

tot_new.xvg: md_vide.edr
	echo -e "11\n0\n" \
	| g_energy_d -f md_vide -o tot_new

compare: tot_old.xvg tot_new.xvg
	xmgrace \
	 tot_new.xvg -graph 1 tot_old.xvg \
	 -pexec "arrange (2,1,.1,.1,.1,ON,ON,ON)"

prep:
	cp mindata/* .

clean:
	rm -f *.xvg *.trr *.edr *.log *.tpr *.agr *.png \
		after_md_vide.gro mdout.mdp \#*
