subject:"\[gmx\-users\] residue error"

Re: [gmx-users] residue error

2018-02-26 Thread Quyen V. Vu

This is nonstandard residue so GROMACS does not have database about it. you need to generate database consistent with your forcefield On Mon, Feb 26, 2018 at 11:22 PM, Radhika Arora wrote: > Hello, > > I face an error Residue 'BGL' not found in residue topology

Re: [gmx-users] residue error

2018-02-26 Thread Justin Lemkul

On 2/26/18 11:22 AM, Radhika Arora wrote: Hello, I face an error Residue 'BGL' not found in residue topology database. Please let me know how shall i rectify this and what do i need to write in place of BGL. HETATM 1700 C BGL 1 29.680 -48.720 -19.563 0.00 -0.02 .177 C HETATM

[gmx-users] residue error

2018-02-26 Thread Radhika Arora

Hello, I face an error Residue 'BGL' not found in residue topology database. Please let me know how shall i rectify this and what do i need to write in place of BGL. HETATM 1700 C BGL 1 29.680 -48.720 -19.563 0.00 -0.02 .177 C HETATM 1701 C BGL 1 13.970 -44.542 -17.378