From: Ashutosh Shandilya (scfbioiitd_at_gmail.com)
Date: Wed Dec 08 2021 - 17:19:15 CST
or *cv load oldjob.colvars.state* in the eABF input file.
Thanks,
Ashutosh
On Wed, Dec 8, 2021 at 6:16 PM Ashutosh Shandilya <scfbioiitd_at_gmail.com>
wrote:
> 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!u7UQzCdwyUYECYqbbZeuPoEy7KnX-I-WqcpmGThbsIhikH6_ocED2Uru038miyTcdg$
>>
>> 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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