Re: how to solve such kind of crossterm parameter problem?

From: Liqun Zhang (lxz79_at_case.edu)
Date: Tue Jun 12 2012 - 10:31:09 CDT

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Dear NAMD administrator:

I solvated a huge protein using a box of water in charmm. Then I started to
equilibrate the system in namd. I got following error message when the
program crashed:

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: UNABLE TO FIND CROSSTERM PARAMETERS FOR C N CP1 C
N CP1 C N
(ATOMS 15930 15931 15932 15944 15934 15935 15936 15946)

In fact, I used the same kind of parameters as charmm did. I am wondering
why namd can not recognize them. Can I get some help here? Thanks a lot.

Best,

Laura

On Tue, Jun 12, 2012 at 11:28 AM, Liqun Zhang <lxz79_at_case.edu> wrote:

> Dear NAMD
>

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