Re: [AMBER] About utilities to convert Amber input files for MD into the Tinker, NAMD, Genesis, or Desmond input files

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Mon, 3 Feb 2020 21:09:05 -0500

Hi Vlad,

Here are two tutorials about using AMBER force field in CHARMM: https://ambermd.org/tutorials/pengfei/gaff4charmm.htm <https://ambermd.org/tutorials/pengfei/gaff4charmm.htm>, https://ambermd.org/tutorials/advanced/tutorial20/charmm.htm <https://ambermd.org/tutorials/advanced/tutorial20/charmm.htm>, which are not the exact things you want (as you want to convert to Tinker, NAMD, Genesis, or Desmond input files) but hope it helps anyway.

Pengfei

> On Jan 28, 2020, at 11:17 PM, Elvis Martis <elvis_bcp.elvismartis.in> wrote:
>
> Hi
> Here is at least one way to convert AMBER trajectories to Desmond cms
> http://ambermd.org/desmond.html
> Best Regards
>
>
>
> On Wed, 29 Jan 2020 at 09:33, Vlad <vvv900.nci.org.au> wrote:
>
>> Dear Amber Gurus,
>>
>> Do you know of any utilities to convert Amber input files for MD into
>> the Tinker, NAMD, Genesis, or Desmond input files?
>>
>> It looks as these programs have better parallel scaling for many
>> hundreds of CPUs...
>>
>> Thanks,
>>
>> Vlad
>>
>> --
>> _______________________________________________
>> 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 Mon Feb 03 2020 - 18:30:03 PST
Custom Search