[gmx-users] Fatal error

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Thu Oct 4 12:24:53 CEST 2018


You have to define your atoms in .rtp file in that force field

On Thu, Oct 4, 2018, 2:59 PM Ashma Khan <ashmakhan200 at gmail.com> wrote:

> When I am running the pdb2gmx of trehalose.pdb for making a box of certain
> concentration then an error is occurring residue that 'TRE' not found in
> residue topology database.Trehalose is not found in forcefield
> amber99sb-ildn. So,please suggest me what to do
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