|
DTP_small
|
\(\mathrm {R}^{\mathrm{2}}\)
|
\(\mathrm {RMSD}\)
|
\(\mathrm {RMSD}_{\mathrm {at}}\)
|
Param. time [h:m:s]
|
|---|
|
GDMIN
|
0.9941
|
0.0256
|
0.0599
|
19:47:22
|
|
optGM
|
0.9945
|
0.0249
|
0.0399
|
0:40:07
|
|
CCD_gen
|
\(\mathrm {R}^{\mathrm{2}}\)
|
\(\mathrm {RMSD}\)
|
\(\mathrm {RMSD}_{\mathrm{at}}\)
|
Param. time [h:m:s]
|
|---|
|
GDMIN
|
0.9934
|
0.0334
|
0.0884
|
40:03:11
|
|
optGM
|
0.9950
|
0.0292
|
0.0406
|
10:27:05
|
|
PUB_pept
|
\(\mathrm {R}^{\mathrm{2}}\)
|
\(\mathrm {RMSD}\)
|
\(\mathrm {RMSD}_{\mathrm{at}}\)
|
Param. time [h:m:s]
|
|---|
|
GDMIN
|
0.9875
|
0.0519
|
0.0756
|
18:37:16
|
|
optGM
|
0.9875
|
0.0518
|
0.0746
|
0:04:58
|
