Re: [AMBER] unable to run minimizations after new installation of amber11

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 7 Jun 2013 12:01:05 -0400

On Thu, Jun 06, 2013, Amparo Garcia Lopez wrote:

> At line 109 of file inpcrd_dat.f90 (unit = 9, file = 'TSL2_1N8R.wat.min1')
> Fortran runtime error: End of file
>
> The file TSL2_1N8R.wat.min1 is in blank.

Since TSL2_1N8R.wat.min1 is an input file, and is blank (empty?), it makes
sense that pmemd would complain about a premature end of file.


> Unit 9 Error on OPEN: TSL2_1N8R.wat.min2
> STOP PMEMD Terminated Abnormally!

This looks like you may be trying to open an non-existent file? Is that
possible?

The inputs you sent are not very helpful...what is important here are the file
names you are giving to pmemd on the command line...these are printed in
the output file. I'm guessing that all this has nothing to do with having a
new version of Amber, but involves problems with finding the same files you
used to use.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 07 2013 - 09:30:04 PDT
Custom Search