Hi I'm trying to set to zero the charges of my ligand group (MOL) using tpbconv:
tpbconv_d -s md.tpr -f md.trr -n -o md_lig_zero.tpr -zeroq then I select the MOL group and I get the following message: Selected 14: 'MOL' Segmentation fault (core dumped) Any explanation to why this may have happened? Thanks Yocheved
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