Re: [AMBER] How to use ff99SB-ILDN in Amber16

From: Vito GENNA <vito.genna.irbbarcelona.org>
Date: Sat, 13 Oct 2018 00:02:02 +0200

Hi,

In the /cmd folder located in your AMBERHOME you gonna find what you are looking for.

Cheers

V

>
>
Vito Genna, Ph.D
EMBO Fellow
Scientist
Molecular Modelling and Bioinformatics
Orozco Lab

Dep. of Structural and Computational Biology
Institute for Research in Biomedicine (IRB Barcelona)
Parc Científic de Barcelona
C/ Baldiri Reixac 10-12
08028 Barcelona

P.S. Email written with my IPhone. Sorry for typo.

> Il giorno 12 ott 2018, alle ore 23:29, Qinghua Liao <scorpio.liao.gmail.com> ha scritto:
>
> Hello Tianyi,
>
> If you check the folder $AMBERHOME/dat/leap/cmd/oldff, then you will
> find the old force fields.
>
>
> Best,
> Qinghua
>
>> On 10/12/2018 11:26 PM, Yang, Tianyi wrote:
>> Hi,
>>
>> I am using Amber 16 to run a simulation of a protein. The force field I am using is ff14SB. I am also using Gromacs to run the simulation of the same protein with force field of ff99SB-ILDN. The simulation results are quit different. So I am wondering is it possible to use ff99SB-ILDN in Amber? If yes, what commands am I supposed to use in xLeap?
>>
>>
>> Tianyi Yang
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 12 2018 - 15:30:02 PDT
Custom Search