Hi,
thanks for the answers. I have change the ":" to "." and now it's ok,
appearing 1 atom instead of 3:
0: [pucker p1 .2175 .2191 .2187 .2185 .2178 .2177 out pucker1.dat
cremer range360]
.2175 (1 atoms)
.2191 (1 atoms)
.2187 (1 atoms)
.2185 (1 atoms)
.2178 (1 atoms)
But I haven't got the theta and amplitude angles yet...
I don't know what to put inside the script...This is my script:
pucker p1 .2175 .2191 .2187 .2185 .2178 .2177 out pucker.dat cremer
amplitude theta range360
and results:
#Frame p1
1 97.8335
2 103.7672
3 107.0839
4 90.2098
.
.
.
Could it be failure of my topology file?...
thanx in advance
Myriam
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Received on Wed Feb 20 2019 - 03:30:03 PST
