Hi alls,
I have a problem when I launch cpptraj because the calculation stops at 40%:
PARAMETER FILES (1 total):
0: smp-193-ptn3rig.top, 88835 atoms, 28975 res, box: Orthogonal,
28823 mol, 28811 solvent
INPUT TRAJECTORIES (1 total):
0: 'smp-193ptn_vcon3.mdcrd' is an AMBER trajectory, Parm
smp-193-ptn3rig.top (Orthogonal box) (reading 36842 of 36842)
Coordinate processing will occur on 36842 frames.
BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'smp-193-ptn3rig.top' (4 actions):
0: [pucker p1 .2175 .2190 .2187 .2184 .2178 .2177 out pucker1.dat
cremer amplitude theta range360]
[.2175](1) [.2190](1) [.2187](1) [.2184](1) [.2178](1) [.2177](1)
1: [pucker p2 .2193 .2207 .2205 .2202 .2196 .2195 out pucker2.dat
cremer amplitude theta range360]
[.2193](1) [.2207](1) [.2205](1) [.2202](1) [.2196](1) [.2195](1)
2: [pucker p3 .2218 .2233 .2230 .2227 .2221 .2220 out pucker3.dat
cremer amplitude theta range360]
[.2218](1) [.2233](1) [.2230](1) [.2227](1) [.2221](1) [.2220](1)
3: [pucker p4 .2236 .2250 .2248 .2245 .2239 .2238 out pucker4.dat
cremer amplitude theta range360]
[.2236](1) [.2250](1) [.2248](1) [.2245](1) [.2239](1) [.2238](1)
----- smp-193ptn_vcon3.mdcrd (1-36842, 1) -----
0% 10% 20% 30% 40% Killed
Any idea? Maybe is the cluster's problem?
Thanks in advance,
Myriam
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Received on Mon Mar 22 2021 - 03:00:02 PDT
