Dear AMBER users,
I encountered some issue with minimization (min2.rst) using amber 14
(sander).
The script worked fine before though.
My min2.out file shows this error:
*#minimization2*
* &cntrl imin=1, maxcyc=5000, ncyc=2500, ntb=1, ntr=0,
cut=10.0 /--------------------------------------------------------------------------------
1. RESOURCE
USE:--------------------------------------------------------------------------------|
Flags: getting new box info from bottom of inpcrd| INFO: Old style inpcrd
file readERROR: I could not find the number of atoms or the time on
the second line of your inpcrd file [HOK-IgD_min1.rst]. Bad INPCRD file!*
In the 2nd line of min1.rst, there are *******
I'm wondering why that came from? I didn't see any wrong in my input files.
Thank you.
CS
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Received on Mon Feb 20 2017 - 19:30:02 PST
