[AMBER] ambpdb error while conversion

From: Sunita Patel <sunita.patel.cbs.ac.in>
Date: Thu, 19 Sep 2019 16:55:29 +0530

Dear Users,

We are trying to convert *.prmtop and *.rst files obtained after energy
minimization into a pdb file using ambpdb command. The *.prmtop file is
obtained by adding extra CMAP parameters (FF14IDPSFF) to the original
prmtop file obtained from FF14SB force field. However, we got the following
error message.

ambpdb -p AH_leap_struct_CMAP.prmtop -c AH_struct_min.rst >
Segmentation fault (core dumped)

When we are converting the prmtop file to pdb without adding CMAP
parameters, we could successfully do that without any error.
How can we get the pdb file by using the prmtop file with the CMAP

AMBER mailing list
Received on Thu Sep 19 2019 - 05:00:02 PDT
Custom Search