Thanks a lot for all your help. The problem was eventually solved by
copying manually the box information from the restrt to the inpcrd file.
Arik
On 8/20/2010 1:38 PM, case wrote:
> On Fri, Aug 20, 2010, arikcohen wrote:
>> 3. The last couple of lines of my inpcrd file (taken again via ptraj)are
>> as follows:
>>
>> 63.981 67.718 26.200 35.536 66.108 14.227 35.855 65.206
>> 14.246 35.298
> The above cannot be a inpcrd: inpcrd and restrt files have coordinates
> with 7 figures after the decimal place. What you show above is some
> portion of a trajectory file.
>
> You say "taken again via ptraj", but until/unless we know the exact commands
> you are using, it's hard to know what is wrong.
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 20 2010 - 15:00:06 PDT
