Several issues (possible bugs) in REST2 - soluteScalingFile & langevinTemp

From: Aravinda Munasinghe (
Date: Tue Jan 15 2019 - 15:31:04 CST

Dear NAMD users,
In my recent attempt to use REST2 in namd2.13 I found following two
1. Though I define soluteScalingFile in my common conf file, when
namd getting executed, it looks for scaling solute atoms in the default
file which is the coordinate file
"Info: Reading solute scaling data from file: coordinate PDB file (default)"
2. Though lengevinTemp defined in the "aaqaa3_rest2_base.namd", when you
execute namd, you get the error for having multiple langevinTemp
definitions. (commenting the langevinTemp removes the error.
Thank you,
Best regards,

Aravinda Munasinghe,

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:09 CST