Re: GaMD in NAMD

From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Wed Jun 13 2018 - 22:09:46 CDT

Hi Chitrak
                I am trying to use all the same parameter written on GaMD
website but NAMD 2.13 is complaining about following parameters.
ERROR: accelMDGrestfile
ERROR: accelMDGntebprep
ERROR: accelMDGntcmdprep
ERROR: accelMDGnteb
ERROR: accelMDGntcmd
ERROR: accelMDGirest

it don't recognize these parameters.

Thanks
Dhiraj

On Wed, Jun 13, 2018 at 10:04 PM Chitrak Gupta <chgupta_at_mix.wvu.edu> wrote:

> Hi Dhiraj,
>
> I have played around a bit with the NAMD implementation of GaMD. Which
> parameters did you need help with?
>
>
> Chitrak.
>
> On Wed, Jun 13, 2018 at 10:54 PM, Dhiraj Srivastava <dhirajks_at_gmail.com>
> wrote:
>
>> Hi
>> does anyone tried GaMD with NAMD? is theres any
>> protocol/configuration file available? I am following the tutorial on
>> https://gamd.ucsd.edu/tutorial_namd.html. however some of the
>> parameters, NAMD can not understand.
>>
>> Thanks
>> Dhiraj
>>
>
>

This archive was generated by hypermail 2.1.6 : Sat Sep 14 2019 - 23:19:36 CDT