From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Wed Aug 05 2020 - 15:44:38 CDT
If it was a bug, presumably it was fixed. As you point out, the newer version works.
Best,
JC
> On Aug 5, 2020, at 11:11 AM, HEMANTH H <hemanth.h_at_iitgn.ac.in> wrote:
>
> Dear NAMD community,
>
> I had been using NAMD to run simulations of systems with drude particles, and I observed that the simulations crash by flagging "Drude Hardwall error" for simulations of large systems (>50,000 atoms) on NAMD_2.13_Linux-x86_64-multicore-CUDA version, but the same simulations work perfectly fine on NAMD_Git-2019-03-15_Linux-x86_64-multicore-CUDA version. I don't know if it is a system specific issue or not. Any help in rectifying or understanding this error would be greatly appreciated.
>
> Thanks and Regards
> Hemanth
> --
> Hemanth H 18310019
> Research Scholar
> IIT Gandhinagar
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