Re: Problems with AMBER

From: Bill Ross <>
Date: Thu 28 Jun 2001 19:49:52 -0700 (PDT)

        I'm trying to use the ANAL program to analyze output from an MD run. I
        have one major problem and one secondary question.
        My main problem is that my input crd file from MD contains data in 10
        columns. ANAL does not like this and won't accept it. However, it
        does seem to take my 6 column crd file which I obtained from
        minimization. Is there a flag I can use to get ANAL to accept
        the 10 column file format?

No. The normal thing is to use carnal or some other program
like ptraj to break out an mdcrd into a series of restrts,
and then analyze each by way of a script. (Maybe Interface
can help with this.) Also see the ANAL bugs on the 'Unfixed
bugs' section of the amber web.

Bill Ross
Received on Thu Jun 28 2001 - 19:49:52 PDT
Custom Search