Daniel R. Roe
Daniel R. Roe
Did `parmwrite out` work for you?
Since there hasn't been any movement on this in a while I'm going to close it. Feel free to reopen if it is still an issue.
This should be possible now as of #915 (may have also been possible before but I'm certain it works now). The ASCII file just needs to have a header with...
#72 seems like it belongs under this umbrella.
Note that the cmake build system is not maintained by me; it is actually from a separate repo: https://github.com/Amber-MD/cmake-buildscripts Second, that MPI is pretty old - maybe try a more...
Unless your system has compiler wrappers, it's not enough to load the modules - you need to tell cpptraj where they are. These are usually set with environment variables (e.g....
This issue is pretty old now and hopefully was resolved; please feel free to reopen it if not.
Just add the `multi` keyword to the `trajout` command. See the manual for complete details.
I'll probably need files so I can reproduce the error. The topology and a few coordinate frames should suffice.
Thanks for the files. However, I wasn't able to reproduce the segfault (using version 4.12.1). Could you send me the peaks file you are using as well? Also the input...