Dear All,
In a simulation a DNA bound protein with Mg and Na ions are simulated in
water. I minimized the structure 3 times. Subsequently, added Na+ and water
using AMBER18 and then performed energy minimization of the whole system.
After energy minimization I ran NVT equilibration. During this I got the
following error.
Please help to rectify it. Where to check about the box information?
| Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info not found in inpcrd
Thank you for the help.
Sunita
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Received on Wed Apr 08 2020 - 21:00:02 PDT
