After finishing the REMD simulation i did gmx check for an xtc file and got the following
Reading frame 0 time 0.000
# Atoms 2372
Precision 0.001 (nm)
Reading frame 6000 time 6000.000
Timesteps at t=6224 don't match (1, -127)
Timesteps at t=6097 don't match (-127, 1)
Reading frame 30000 time 29872.000
Timesteps at t=30282 don't match (1, -4)
Timesteps at t=30278 don't match (-4, 1)
Reading frame 59000 time 58867.000
Timesteps at t=59226 don't match (1, -173)
Timesteps at t=59053 don't match (-173, 1)
Reading frame 68000 time 67693.000
Timesteps at t=68279 don't match (1, -19)
Timesteps at t=68260 don't match (-19, 1)
Reading frame 69000 time 68673.000
Timesteps at t=69261 don't match (1, -63)
Timesteps at t=69198 don't match (-63, 1)
Timesteps at t=69560 don't match (1, -3)
Timesteps at t=69557 don't match (-3, 1)
Reading frame 70000 time 69605.000
Timesteps at t=69874 don't match (1, -57)
Timesteps at t=69817 don't match (-57, 1)
Reading frame 72000 time 71547.000
Timesteps at t=72079 don't match (1, -26)
Timesteps at t=72053 don't match (-26, 1)
Reading frame 78000 time 77520.000
Timesteps at t=77704 don't match (1, -29)
Timesteps at t=77675 don't match (-29, 1)
Timesteps at t=77993 don't match (1, -21)
Timesteps at t=77972 don't match (-21, 1)
Reading frame 79000 time 78468.000
Timesteps at t=79049 don't match (1, -30)
Timesteps at t=79019 don't match (-30, 1)
Reading frame 86000 time 85437.000
Timesteps at t=85628 don't match (1, -7)
Timesteps at t=85621 don't match (-7, 1)
Reading frame 87000 time 86429.000
Timesteps at t=86528 don't match (1, -15)
Timesteps at t=86513 don't match (-15, 1)
Reading frame 88000 time 87413.000
Timesteps at t=87662 don't match (1, -185)
Timesteps at t=87477 don't match (-185, 1)
Timesteps at t=88215 don't match (1, -132)
Timesteps at t=88083 don't match (-132, 1)
Reading frame 93000 time 92094.000
Timesteps at t=92545 don't match (1, -70)
Timesteps at t=92475 don't match (-70, 1)
Reading frame 98000 time 97023.000
Timesteps at t=97796 don't match (1, -24)
Timesteps at t=97772 don't match (-24, 1)
Reading frame 103000 time 101998.000
Timesteps at t=102672 don't match (1, -20)
Timesteps at t=102652 don't match (-20, 1)
Reading frame 106000 time 104977.000
-------------------------------------------------------
Program: gmx check, version 2020.4
Source file: src/gromacs/fileio/xtcio.cpp (line 91)
Fatal error:
Magic Number Error in XTC file (read 0, should be 1995)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
does that mean the file is corrupt ? and how can i fix it, please … Thanks