VMD-L Mailing List

From: Jason Smith (jason_smith_18_at_sfu.ca)
Date: Mon Jan 11 2021 - 12:50:38 CST

Where are you pointing to in the config file to tell NAMD to find it?

You can grab it from here:

C:\Program Files (x86)\University of Illinois\VMD193\plugins\noarch\tcl\readcharmmpar1.X (1.2, 1.3, 1.5, etc)

then chuck it in the same directory it needs to be in.

Personally, I'm lazy, so I have my input files all in the same directory that I run the config file from, therefore my config files just look like:

# Input
structure 6lu7-apo_.psf
coordinates 6lu7-apo_.pdb

paraTypeCharmm on
parameters par_all36_prot.prm
parameters par_all36_lipid.prm
parameters par_all36_na.prm
parameters par_all36_carb.prm
parameters par_all36_cgenff.prm
parameters toppar_all36_carb_glycopeptide.str
parameters toppar_water_ions_namd.str
..

Especially useful when keeping up with updated versions of FF, you can just go back and open the prm to see what version that sim was run with.

These errors normally come up because of an error in the config file data path or because vmd or namd is trying to read/write a file on C:\ in a manner windows doesn't like without elevating the exe (in my experience, anyway)--_000_ce5529ca47f343a88f9bf643626d8b50sfuca_--