Dear amber uses:
I want to restrain 6 bond length, and I used makeDIST_RST to generate the RST.dist file, but in the RST.dist file, rk2 and rk3 only appeared in the first restraint, When I check the outfile, Number of restraints read = 6 ,is there any question about this problem?
RST.dist
#
# 19 GLN HE21 213 RES O8 2.5
&rst
ixpk= 0, nxpk= 0, iat= 313,3263, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,
rk2=0.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 25 CYM HN 213 RES O8 2.5
&rst
ixpk= 0, nxpk= 0, iat= 364,3263, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 25 CYM SG 213 RES C7 4.0
&rst
ixpk= 0, nxpk= 0, iat= 370,3262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 159 HIP HND 213 RES N9 3.5
&rst
ixpk= 0, nxpk= 0, iat=2442,3260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 GLY HN 213 RES O4 2.5
&rst
ixpk= 0, nxpk= 0, iat= 991,3270, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 66 GLY O 213 RES H29 2.5
&rst
ixpk= 0, nxpk= 0, iat= 996,3279, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
2010-05-26
qiaoyan
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Received on Tue May 25 2010 - 20:00:04 PDT
