Dear all gromacs users,<br> <br> <div id=":3v"> I tried the grompp and i got the following error."number of coordinates in coordinate file (4INS_b4ion.gro, 90396)<br> does not match topology (4INS.top, 90393)".<br>
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Is there any explanation why is this happens.I would appreceate any
help.I am new in using moleculer dynamics and particularly in gromacs.<br><br><br></div><br>Atom HA in residue MET 1 was not found in rtp entry MET with 11 atoms<br>while sorting atoms.<br><br>For a hydrogen, this can be a different protonation state, or it<br>
might have had a different number in the PDB file and was rebuilt<br>(it might for instance have been H3, and we only expected H1 & H2).<br>Note that hydrogens might have been added to the entry for the N-terminus.<br>
Remove this hydrogen or choose a different protonation state to solve it.<br>Option -ignh will ignore all hydrogens in the input.<br><br><br>Regards<br>Suryanarayana Seera,<br>PhD student,<br>Hyderabad,<br>India.<br>