Re: [gmx-users] force filed parameters for phosphoserine with gromaces

On 6/2/16 9:59 PM, YanhuaOuyang wrote: What you mean is that I can use the AMBER parameters on the website (http://sites.pharmacy.manchester.ac.uk/bryce/amber ) and need to convert the format of the parameters to the one that GROMACS is com

Re: [gmx-users] force filed parameters for phosphoserine with gromaces

What you mean is that I can use the AMBER parameters on the website (http://sites.pharmacy.manchester.ac.uk/bryce/amber ) and need to convert the format of the parameters to the one that GROMACS is compatible with in the .rtp entries? > 在 201

Re: [gmx-users] force filed parameters for phosphoserine with gromaces

On 6/2/16 10:55 AM, YanhuaOuyang wrote: Dear Gromacs users, I am going to run a MD of a 20-residue protein which is phosphorylated on the Serine and Threonine residues with AMBER ff99SB-ILDN force field using Gromacs5.0. When I run gmx pdb2gmx and choose AMBER ff99SB-ILDN force field, it appea

[gmx-users] force filed parameters for phosphoserine with gromaces

Dear Gromacs users, I am going to run a MD of a 20-residue protein which is phosphorylated on the Serine and Threonine residues with AMBER ff99SB-ILDN force field using Gromacs5.0. When I run gmx pdb2gmx and choose AMBER ff99SB-ILDN force field, it appears: fatal error: residues SEP not found