pull->group.emplace_back(t_pull_group());
for (int groupNum = 1; groupNum < pull->ngroup; groupNum++)
{
- t_pull_group pullGroup; //= &pull->group[groupNum];
+ t_pull_group pullGroup;
sprintf(buf, "pull-group%d-name", groupNum);
setStringEntry(inp, buf, readBuffer, "");
pullGroups[groupNum] = readBuffer;
sprintf(buf, "pull-group%d-weights", groupNum);
setStringEntry(inp, buf, wbuf, "");
sprintf(buf, "pull-group%d-pbcatom", groupNum);
- pullGroup.pbcatom = get_eint(inp, buf, 0, wi);
+ pullGroup.pbcatom = get_eint(inp, buf, 0, wi);
+ pullGroup.pbcatom_input = pullGroup.pbcatom;
/* Initialize the pull group */
pullGroup.weight = setupPullGroupWeights(wbuf);