Re: [gmx-users] grompp error : Atomtype HC not found

On 2/14/20 6:09 AM, Atila Petrosian wrote: Dear Justin, Thanks for answer. You said " There is no reason to use this totally obsolete force field (ffgmx.itp)". I used ffgmx.itp, because there was a example.top file in Tieleman's web site: That example is almost as old as I am :) It reproduc

[gmx-users] grompp error : Atomtype HC not found

Dear Justin, Thanks for answer. You said " There is no reason to use this totally obsolete force field (ffgmx.itp)". I used ffgmx.itp, because there was a example.top file in Tieleman's web site: --- ; topology for 1 alm molecule, 128 popc lipids

Re: [gmx-users] grompp error : Atomtype HC not found

On 2/13/20 8:56 AM, Atila Petrosian wrote: Hi gromacs users, I am doing MD simulation of my system (DPPC lipid + 2 drug molecules + water molecules) using gromacs 2019. I used ATB for drug molecules and Tieleman's web site for lipid molecules. ATB uses a custom version of GROMOS96 that use

[gmx-users] grompp error : Atomtype HC not found

Hi gromacs users, I am doing MD simulation of my system (DPPC lipid + 2 drug molecules + water molecules) using gromacs 2019. I used ATB for drug molecules and Tieleman's web site for lipid molecules. --- My topology file is as follows: