VMD-L Mailing List

From: siladitya mukherjee (mukherjeesiladitya_at_gmail.com)
Date: Thu Nov 08 2012 - 12:22:16 CST

Thanks a lot for the help.

Regards,
Siladitya

On Thu, Nov 8, 2012 at 12:20 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

>
>
>
> On Thu, Nov 8, 2012 at 6:04 PM, siladitya mukherjee <
> mukherjeesiladitya_at_gmail.com> wrote:
>
>> Hi,
>>
>> Can anyone tell me what is the unit of bond distance measured in VMD.
>>
>
> depends on what format you read the data from
> and whether you stick to the conventions or not.
>
> VMD itself doesn't care at all. what matters is
> what is programmed in the molfile plugins for the
> individual file formats.
>
> those generally assume that have coordinates
> specified in angstrom, except for file formats
> where the conventions are different, e.g. nanometers
> in gromacs/gromos type files and atomic units
> (i.e. bohr radii) in gamess and similar ab initio
> derived formats.
>
> axel.
>
>
>
>>
>> Thanks,
>> Siladitya
>>
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
>