Project

General

Profile

Bug #406

g_morph broken in Gromacs 4

Added by jim pfaendtner over 9 years ago. Updated over 9 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Created an attachment (id=447)
associated files for demonstrating g_morph bug

Hello,

I am not able to use g_morph in gromacs 4.0.4 or 4.0.7. This bug has been verified on two separate mac laptops and also a Cray XT5. The version on the cray was compiled by me and also the cray admins.

I am attaching the files I am using (they worked for g_morph in gromacs 3). This is my error message:

ftp2fn: No filetype .???

-------------------------------------------------------
Program g_morph, VERSION 4.0.7
Source code file: trxio.c, line: 243

Fatal error:
Sorry, write_trxframe_indexed can not write tpa
-------------------------------------------------------

I have attached a collection of files with README in the attached tgz. It contains the commands I used to run the g_morph attempt as well as the error message (which is repeated universally everywhere I try).

bug.tgz (92.3 KB) bug.tgz associated files for demonstrating g_morph bug jim pfaendtner, 04/22/2010 04:26 PM

History

#1 Updated by David van der Spoel over 9 years ago

Fixed typo in gmx_morph.c: efTRO -> efTRX which lead to bug 406

Also available in: Atom PDF