[AMBER] Problem in generating xml param files

From: Sushi Shilpa <sushishilpa.gmail.com>
Date: Sat, 17 May 2014 11:36:18 +0530

Dear Amber users,


 I am using Amber for first time, I am using Amber 12 and Amber 14 tools
now I am following the tutorials for Metal center parameter building (
http://ambermd.org/tutorials/advanced/tutorial20/section3.htm) I have
problem in 7th step that is generating final xml param files, forthis I
used the command like this MCPB -i 1AMP_OH_sidechain_fc_md.bcl -l
1AMP_OH_sidechain_fc_md.bcl.log

But i got error like Segmentation fault (core dumped), I dont know what is
the resason for this and the information in log file is this

### ### ### ###


 ### ### ### ###

### MTK++ Info ###

### Function: MCPB ###

### Message: readG03Output

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "readG03Output"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "X"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "-"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "-"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "Y"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "-"

### ### ### ###


 ### ### ### ###

### MTK++ Error ###

### Function: MCPB ###

### Message: Unknown command: "-"

### ### ### ###


 ### ### ### ###

### MTK++ Info ###

### Function: MCPB ###

### Message: updateForceConstants

### ### ### ###


 ### ### ### ###

### MTK++ Info ###

### Function: selection::parse ###

### Message: selection string = /1AMP_OH/1AMP_OH

### ### ### ###



 I would be greatfull if any one could suggest me something. Thanks in
advance.



 Regards,

Shilpa T
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 16 2014 - 23:30:02 PDT
Custom Search