Re: restarting eABF jobs

From: Ashutosh Shandilya (scfbioiitd_at_gmail.com)
Date: Wed Dec 08 2021 - 17:16:35 CST

Thanks for your reply, just one quick question, so I don't need any of the
three files required for restarting the job. So where shall I use (write in
the config file) this colvars.state file to restart the job and what would
be the command for that. The link provided says writing
*cv save*

Kindly help,

Many thanks,
Ashutosh

On Wed, Dec 8, 2021 at 5:57 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

>
> https://urldefense.com/v3/__https://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html*sec:colvars_input__;Iw!!DZ3fjg!uZ3i667Huer_zkkFl50EQKN08y1ELB8rkElFxKW6ZwVyTMNOtXsOLziOMeMUY4eSfQ$
>
> On Wed, Dec 8, 2021 at 5:52 PM Ashutosh Shandilya <scfbioiitd_at_gmail.com>
> wrote:
>
>> Dear Users,
>>
>> To restart eABF job do we need to use xx.colvars.state file generated
>> after each run or like normal restart format
>>
>> bincoordinates ./${runold}-restart.coor
>>
>>
>> binvelocities ./${runold}-restart.vel
>>
>>
>> extendedSystem ./${runold}-restart.xsc
>>
>>
>> As I was looking online we have to use colvars.state file, so where shall
>> I put in the input file.
>>
>>
>>
>>
>> Many thanks,
>>
>> Ashutosh
>>
>

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