Error when use_peleffy: true in both versions of pele_platform
etiur opened this issue · comments
I have been having problems with use_peleffy in pele_platform, when running saturated_muatgenesis, since the release of the version 1.6.1, even though I am still using the 1.6.0.
I tried with a system that did work with the flag use_peleffy, before the release of the new version but it gives this error because it doesn't generate the template files necessary --> there is no subz in datalocal
terminate called after throwing an instance of 'PeleException'
terminate called after throwing an instance of 'PeleException'
terminate called after throwing an instance of 'PeleException'
what(): /!\ Error in ChainFactory::addLink: Problem with segment starting with atom ' O1 ' of residue 'SUB:656 :L'. /!\ Error in
LinkBuilder::createNewLink: Trying template SUB:
Error getting structural template: /!\ Error in ForceField::getStructuralTemplate: Warning BAD template name!! -> SUB!!
Trying template SUBZ:
You can try it yourself with this PDB
T313I.txt