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

[Dallas Warren]

You need to use the same forcefield.

Since you are using ATB to generate the topology for your small molecule,
then it stands to reason that you then should use ATB for the lipid
molecule.

Search ATB, I'm pretty sure the various lipids will already be there, and
suspect they will be some that the developers of the forcefield added
themselves, rather than a user submitting.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Mon, 2 Mar 2020 at 18:40, Atila Petrosian <atila.petrosian at gmail.com>
wrote:

> Hi Dallas,
> thanks for your answer. I saw README file in gromos54a7_atb.ff from ATB
> server.
>
> My system contains lipid molecules and small molecule. For lipid molecules,
> Justine Lemkul suggested to use gromos53a6_lipid.ff. How to use both
> of gromos54a7_atb.ff
> and  gromos53a6_lipid.ff in topology file.
>
> Please guide me.
>
> Best,
> Atila
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