git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@367
a2be9bc6-48de-4e38-9406-
05402d4bc13c
error_message_box("Cannot import parmchk output.")
return n
end
+ if self.nimpropers > 0
+ remove_improper(IntGroup[0...self.nimpropers])
+ end
log_level = get_global_settings("antechamber.log_level")
log_keep_number = get_global_settings("antechamber.log_keep_number")
erase_old_logs(tdir, log_level, log_keep_number)
}
}
+ if (status == 0) {
+ /* Remove improper torsions (they should be rebuilt) */
+ if (mol->nimpropers > 0) {
+ IntGroup *ig;
+ ig = IntGroupNewWithPoints(0, mol->nimpropers, -1);
+ MolActionCreateAndPerform(mol, gMolActionDeleteImpropers, ig);
+ IntGroupRelease(ig);
+ }
+ }
+
wxFileName::SetCwd(cwd);
/* Erase log files */