GROMACS version: version 2021.4-Ubuntu-2021.4-2
GROMACS modification: No
Hi,
I am currently attempting to run an MD for a ZDNA molecule under 4M NaCl conditions in an octahedral box. I have tried increasing the box size but continually get the error “NO MORE REPLACEABLE SOLVENT”. I’ve tried adjusting the -rmin value via -nosig56 but am experiencing the same issue in genion when replacing solvent. Changing the water model from SPCE to TIP3P has not helped either. If anyone has any other experience with this, any help would be appreciated. Thank you. For reference I am using the amber14sb_OL15.ff forcefield.