Charmm Error: Warning from RDCMND, Command Line Too Long.

Sulstice
2 min readMar 11, 2023

--

Currently, I am working in CHARMM for setting up simulations and I come across a lot of different errors. Slowly though I am forgetting them and I need to write down how I got passed them all. I hope whatever I face no one else has to encounter or at least minimize confusions.

Error

 ***** LEVEL -1 WARNING FROM <RDCMND> *****
***** Command line too long: truncated.

Here is the stack trace when receiving this error. What this error is saying that a line using the CHARMM command is over a max line width installed by CHARMM. I have found that this is usually around the pep8 standard for python ~79 characters.

What’s going on is there is an offending line in one of the files I am reading in. If I look higher up on the stacktrace:

 VOPEN> Attempting to open::1.1.crd::
OPNLGU> Unit 10 opened for READONLY access to 1.1.crd

It looks like the last thing it did was try to read in a coordinate file:

* GENERATED BY MY SOFTWARE
* COODIRNATE FILE TO RUN CHARMM INTERACTION
* CREATED BY AUTHORS: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
*
23 EXT

It looks like there is a comment with a line that is too long and over the above limit with the repeated AAAAAAAAAAAA . By changing that line length into a reasonable length fixes the issue.

* GENERATED BY MY SOFTWARE
* COODIRNATE FILE TO RUN CHARMM INTERACTION
* CREATED BY AUTHORS: AAAAAAAAAAAAAAAAAAAAAAAAA
*
23 EXT

This stacktrace means something that is over the length when reading in the file. When you see this stacktrace:

  • Look over the last file read
  • Look inside that file and check if any lines are within the 79 characters.

--

--

Sulstice
Sulstice

No responses yet