Re: [ESPResSo-users] Fwd: latest version of Espresso

[Konrad Breitsprecher]

Hello Jimmy,

you can try to use my branch where the langevin thermostat+iccp3m is working. Be aware that I'm still running some final tests to check the validity of icc, so if you encounter sth strange related to the method, please contact me.
Regards,
Konrad Breitsprecher

2014-03-17 23:57 GMT+01:00 Stefan Kesselheim <address@hidden>:

Begin forwarded message:

> From: Stefan Kesselheim <address@hidden>
> Subject: Re: latest version of Espresso
> Date: March 17, 2014 11:51:36 PM GMT+01:00
> To: Xikai Jiang <address@hidden>
>
> Dear Jimmy,
>
> On Mar 15, 2014, at 1:37 AM, Xikai Jiang <address@hidden> wrote:
>
>> Hello Stefan:
>>
>> Last time you mentioned that the thermostat is not enabled using ICCP3M in Espresso 3.2.0. Could you help me to find where I can download bug-fixed version of Espresso that enables thermostat during ICCP3M?
>
> That is true. Konrad Breitsprecher has a working patch, and we'll try to upload it in the next couple of days. We however first have to check it actually does what it should :-).
>
> Cheers
> Stefan