Daniel R. Roe
Daniel R. Roe
Do not require output file [out <filename>] / reduce Action/Analysis verbosity for libcpptraj/pytraj
> if runanalysis lifetime HB[solutehb] out test.dat does not have out test.dat, got STDOUT Are you sure? I just added this to the end of the first test in `Test_Lifetime`:...
Do not require output file [out <filename>] / reduce Action/Analysis verbosity for libcpptraj/pytraj
@hainm This issue is also about suppressing stdout from cpptraj right? For example, bounds doesn't require `out`, but will print to STDOUT if no output file is specified. You want...
I've made some progress on fixing external readline support in cpptraj. It will be in a separate branch that can then eventually be merged into this PR, which should fix...
> > I've made some progress on fixing external readline support in cpptraj. It will be in a separate branch that can then eventually be merged into this PR, which...
Sorry for the delay on this. I've fixed (I think) cpptraj's use of system readline libraries (#1126), but I'm running into an issue with CMAKE that I'm having trouble solving....
I may have figured it out: looks like I had to modify a `target_include_directories` command in the `readline` subdirectory itself. Stay tuned...
The readline issues should be resolved with #1126. Next will be the header files installation.
@dacase Cpptraj header install should be working now for both configure/cmake via #1129. You can try merging the current Amber-MD/Cpptraj master into this branch and see if it works for...
Hi! I just sent a reply to your email address regarding a similar issue (sorry for the delay again!). So you can't do energy decompositions like this yet - it's...
Should be addressed by `enedecomp` added in #1109 .