Re: [gmx-users] pdb2gmx: intra-chain disulfide bond missing problem

2015-05-20 Thread Justin Lemkul
On 5/20/15 12:17 PM, Zhang, Cheng wrote: Dear GROMACS users, Can I ask a disulfide bond question if possible? The link below is my protein L50K.pdb with 5 disulfide bonds. https://copy.com/kPLlSianI4LtohNy After using gmx pdb2gmx -f L50K.pdb -o L50K_processed.gro -water spce -inter -ign

[gmx-users] pdb2gmx: intra-chain disulfide bond missing problem

2015-05-20 Thread Zhang, Cheng
Dear GROMACS users, Can I ask a disulfide bond question if possible? The link below is my protein L50K.pdb with 5 disulfide bonds. https://copy.com/kPLlSianI4LtohNy After using gmx pdb2gmx -f L50K.pdb -o L50K_processed.gro -water spce -inter -ignh -merge interactive one of the disulfide