[AMBER] peek_ewald_inpcrd: Box info not found in inpcrd

From: Sunita Patel <sunita.patel.cbs.ac.in>
Date: Thu, 9 Apr 2020 09:31:18 +0530

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.
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Received on Wed Apr 08 2020 - 21:00:02 PDT
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