trjconv won't output trr files
trjconv will not output trr files when using -sub index
Simple fix, change line 923 of gmx_trjconv.c from
if ((ftp != efXTC) && (ftp != efTRN))
if ((ftp != efXTC) && (ftp != efTRR))
With this change, trjconv seems to work fine when using -sub index.ndx and -o somefile.trr
Fix trjconv -sub with .trr files
ftp is set from the -o file's extension, which cannot be efTRN,
since that's a place-holder file type for command-line parsing.
The error text clearly indicates that .trr (== efTRR) should
work, but of course we have no tests for anything.
Added comment that other trajectory types could work here,
but can't be tested at this time.
#2 Updated by Justin Lemkul almost 5 years ago
Please state which version of Gromacs is affected. There was a fix for trjcov -sub merged into the git repo very recently (https://gerrit.gromacs.org/#/c/1463/) that does something different. It would be good to know whether or not this fixes your issue or whether we need to continue investigating it.