Re: veldcdfile command

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Jun 28 2017 - 13:36:43 CDT

Hi Laura, I think Jérôme has inadvertently made a diff against a source
tree used for testing Colvars before integration with NAMD, hence the
inconsistent Makefile.

You can simply use the same patch without the segments affecting the
Makefile, as attached.

Giacomo

On Wed, Jun 28, 2017 at 2:09 PM, Laura Joana <laurajoanalopes_at_gmail.com>
wrote:

> Thanks Jérôme !
> But I'm getting an error in the compilation:
> *No rule to make target `src/colvarproxy.C', needed by
> `obj/colvarproxy.o'. Stop.*
>
> On Wed, Jun 28, 2017 at 6:41 PM, Jérôme Hénin <jerome.henin_at_ibpc.fr>
> wrote:
>
>> Sorry, try this patch instead.
>>
>> On 28 June 2017 at 18:05, Jérôme Hénin <jerome.henin_at_ibpc.fr> wrote:
>>
>>> Hi Laura,
>>>
>>> Indeed, DCDfile seems to be getting special treatment. Please apply the
>>> attached patch to the source, rebuild NAMD and see if it helps.
>>>
>>> Jerome
>>>
>>>
>>> On 28 June 2017 at 16:59, Laura Joana <laurajoanalopes_at_gmail.com> wrote:
>>>
>>>> Dear users,
>>>>
>>>> I'm having an issue using the veldcdfile command. I need to change the
>>>> veldcd file name after some MD steps and apparently this is not possible My
>>>> error message is just:
>>>> *FATAL ERROR: Setting parameter veldcdfile from script failed!*
>>>> I tried to do the same with the dcdfile command and it works. So it
>>>> seems that these two commands do not behave in the same manner. If someone
>>>> can explain to me why and/or has a solution for my problem I'll be happy !
>>>> I got this error message from namd versions 2.11 and 2.12, both
>>>> compiled from source code.
>>>> Thank you all,
>>>>
>>>> Laura
>>>>
>>>
>>>
>>
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:21:25 CST