Celia González Moya

2 Questions 1 Answers 0 Followers

Questions related from Celia González Moya

Why when I try to refine the structure of a peptide with Xplor-NIH the following error occurs?

annealtt.py(48): protocol.genExtendedStructure() fixupCovalentGeom: Covalent geometry still violated at exit. ........ As a result, some angles and dihedrals are violated, and structures are not...

10 September 2018 4,060 0 View

During an MD simulation the disulfide bonds are increasing over time, can someone help us with this?

We are doing a molecular dynamic simulation with GROMACS using the AMBER force field. During the simulation the disulfide bonds are increasing over time. We set the bridge manually with pdb2gmx...

15 June 2015 6,187 3 View