VMD-L Mailing List

From: Alexei Rossokhin (alrossokhin_at_REMOVE_yahoo.com)
Date: Fri Jan 26 2024 - 07:38:58 CST

Dear VMD users, recently installed VMD for WIN64 version 1.9.4a53 (June 29, 2021). It reads my large DCD files correctly. I can visualize trajectories assembled from individual files with a total of over 4M iterations for a system with 161778 atoms. However, when I use the NAMDenergy plugin, I can only calculate energy for runs with 1M iterations. If I upload more, I will get an error. In the log file:

dcdplugin) Could not access file 'namd-temp.dcd'.
TCL: coorfile: Error opening file namd-temp.dcd
FATAL ERROR: coorfile: Error opening file namd-temp.dcd
    while executing
"coorfile open dcd namd-temp.dcd"
    (file "namd-temp.namd" line 36)

It appears when the following command runs
F:/NAMD_2.13_Win64-multicore/namd2.exe namd-temp.namd
 If anyone has encountered this problem before, I would appreciate any advice.

Alexey