Search found 3 matches

by Henry van den Bedem
Fri Jul 08, 2016 12:19 pm
Forum: Sampling and Characterizing Protein and RNA conformational landscapes
Topic: undefined reference to std::basic_regex
Replies: 1
Views: 295

undefined reference to std::basic_regex

Guys,

I get a link error with intel compilers in branch release-0.5.1-exactIK:

undefined reference to std::basic_regex.

Any idea how to resolve?

H
by Henry van den Bedem
Fri Apr 01, 2016 1:47 pm
Forum: OpenMM
Topic: bug for negative residue numbers in charmmpsffile?
Replies: 2
Views: 414

Re: bug for negative residue numbers in charmmpsffile?

Sorry, should have read

changing it to

_resre = re.compile(r'(-?\d+)([a-zA-Z]*)')

Thanks.
by Henry van den Bedem
Fri Apr 01, 2016 1:45 pm
Forum: OpenMM
Topic: bug for negative residue numbers in charmmpsffile?
Replies: 2
Views: 414

bug for negative residue numbers in charmmpsffile?

Hi: Openmm-6.3.1 failed to read residues with negative numbers in my charmm psf file. It used to work fine in Openmm-6.2.0. I traced it back to a line _resre = re.compile(r'(\d+)([a-zA-Z]*)') in OpenMM-6.3.1-Linux/python/simtk/openmm/app/charmmpsffile.py changing it to OpenMM-6.3.1-Linux/python/simt...