[obasekia]

Good day all, i wanted to equilibrate my system in implicit solvent and i got this error. i don’t know how my ref-file is bad because i did minimization

Setup_Enefunc_Rest_Refcoord> bad reffile in [INPUT] rank_no = 16
Image PC Routine Line Source
atdyn 000000000098EF2A tracebackqq_ Unknown Unknown
atdyn 00000000007A37E4 Unknown Unknown Unknown
atdyn 00000000005DF2AF Unknown Unknown Unknown
atdyn 00000000005DBCFA Unknown Unknown Unknown
atdyn 000000000060D924 Unknown Unknown Unknown
atdyn 00000000006480DA Unknown Unknown Unknown
atdyn 000000000078825C Unknown Unknown Unknown
atdyn 00000000007A2009 Unknown Unknown Unknown
atdyn 00000000007A19A6 Unknown Unknown Unknown
atdyn 000000000040EC02 Unknown Unknown Unknown
libc-2.17.so 00007F9477E46555 __libc_start_main Unknown Unknown
atdyn 000000000040EAA9 Unknown Unknown Unknown

[tmori]

First, do you get the same problem with implicit_solvent = NONE?
Then, what happens if you remove the reffile line from the [INPUT] section?
reffile should be specified when the positional restraint is applied.

Bests,
Takaharu Mori