Hi all,
Trying to put a few tens of a polymer in a box (amorphous cell), I fall over the error here below. It has apparently nothing to do with my molecular system - but is related to the compiled program. How to solve it?
Thanks for the help!
Stefan
--
Module : Amorphous Cell
Version : 2025
Build date : Oct 4 2024
Host : W-530217
Operating system : Windows
Task started : Thu Jul 2 13:45:43 2026
Random number seed : 1032431287
---- Amorphous Cell calculation ----
Task : Construction
Density : 0.800 g/cc
Number of frames : 1
Optimize geometry : yes
Loading steps : 1000
Check ring spearing : yes
Restrain rings : no
Check close contacts : no
Check energies : yes
Bias temperature : 298.000 K
Look ahead : 1
Framework charge : 0.000 e per cell
| Component | Charge | Loading |
| | | |
|_______________________________________________
| 1Pol_40units_Opt | -2.008e-005 | 35 |
---- Construction task parameters ----
Ramp density : no
---- Energy parameters ----
Forcefield : Universal
Charges : Use current
Electrostatic terms:
Summation method : Ewald
Accuracy : 0.001 kcal/mol
Buffer width : 0.5 A
van der Waals terms:
Summation method : Atom based
Truncation method : Cubic spline
Cutoff distance : 12.5 A
Spline width : 1 A
Buffer width : 0.5 A
---- Configurational Bias Monte Carlo method parameters ----
| Component | Head bias | Torsion | Torsion |
| | steps | twisters | bias steps |
|_____________________________________________________________
| 1Pol_40units_Opt | 10 | 57 | 10 |
Task terminated : Thu Jul 2 13:49:45 2026
Total CPU time used : 3:56 minutes
ERROR: This document has no URL
Termination status : Error
