AMBER Archive (2001)

Subject: problem with xleap

From: Rozita Dara (rdara_at_uoguelph.ca)
Date: Wed Sep 26 2001 - 17:22:29 CDT

Hi everyone,

I've problem using xleap to visualize the model. After running my
minimization simulation (in water), I use ambpdb to convert restrt file to
pdb file. When I try this command on xleap:

model = loadpdb "md1.pdb"

It gives me this message and it seems to be stock in a loop forever. I
have to shot down the xleap: First it start with

Unknown atom residue ...
        .
        .
        .
then->

Create a new atom named: H ...
        .
        .
        .

Add a new atom ...

Like I said it takes forever to stop. What am I doing wrong here? Xleap
used to work for other simulations!

Thanks for your time.

Rozita