[gmx-users] naming of CH2 groups in pdb file

2015-09-10 Thread Alex Cullen
Dear Gromacs users, I have built a pdb file format for a polymer, and I want to use GROMOS FF. Therefore, I included polar Hydrogens in the pdb file, but I do not know how to name CH2 groups in NAME and SEGNAME columns. When executing the pdbtogmx command I receive the following error: Residue 2

Re: [gmx-users] naming of CH2 groups in pdb file

2015-09-10 Thread Justin Lemkul
On 9/10/15 5:10 AM, Alex Cullen wrote: Dear Gromacs users, I have built a pdb file format for a polymer, and I want to use GROMOS FF. Therefore, I included polar Hydrogens in the pdb file, but I do not know how to name CH2 groups in NAME and SEGNAME columns. When executing the pdbtogmx